10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one

C25H25FN4O4 — CID 142953531

IUPAC10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
SMILESNC1CCCN(c2c(F)cc3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2ccccc2-4)C1
InChIInChI=1S/C25H25FN4O4/c26-18-12-16-21-24(22(18)29-7-3-4-15(27)13-29)34-20-6-2-1-5-19(20)30(21)14-17(23(16)31)25(32)28-8-10-33-11-9-28/h1-2,5-6,12,14-15H,3-4,7-11,13,27H2
InChIKeyBYUOIYNJQKAPMY-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.64
Rot. Bonds2

About 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one

10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one (PubChem CID 142953531) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one.

Molecular Properties

Compound Name10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
PubChem CID142953531
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
SMILESNC1CCCN(c2c(F)cc3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2ccccc2-4)C1
InChIInChI=1S/C25H25FN4O4/c26-18-12-16-21-24(22(18)29-7-3-4-15(27)13-29)34-20-6-2-1-5-19(20)30(21)14-17(23(16)31)25(32)28-8-10-33-11-9-28/h1-2,5-6,12,14-15H,3-4,7-11,13,27H2
InChIKeyBYUOIYNJQKAPMY-UHFFFAOYSA-N
XLogP2.64
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one with MolForge

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Related Compounds

10-(3-aminopyrrolidin-1-yl)-11-fluoro-15-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one;2,2,2-trifluoroacetic acid
CID 169431311
15-(3-aminopyrrolidine-1-carbonyl)-11-fluoro-10-(4-propan-2-ylpiperidin-1-yl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one
CID 58816063
14-(3-aminopyrrolidin-1-yl)-15-fluoro-19-[3-(methylamino)pyrrolidine-1-carbonyl]-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one
CID 58744061
tert-butyl N-[1-[11-fluoro-14-oxo-15-(piperidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]carbamate
CID 58744665
15-fluoro-14-[4-(2-methoxyphenyl)piperazin-1-yl]-19-(morpholine-4-carbonyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one
CID 58744507
14-(3-aminopyrrolidin-1-yl)-15-fluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
CID 10365443
14-[(3S)-3-aminopyrrolidin-1-yl]-15-fluoro-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxylic acid
CID 10252167
3-(2,3-dihydro-1H-indol-3-yl)-N-[1-[11-fluoro-14-oxo-15-(pyrrolidine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-10-yl]pyrrolidin-3-yl]propanamide
CID 71096254
11-fluoro-10-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-1-yl]-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid
CID 142953519
N-[(3R)-1-[18-fluoro-22-(morpholine-4-carbonyl)-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaen-17-yl]pyrrolidin-3-yl]-3-pyrrolidin-1-ylpropanamide
CID 58744902
tert-butyl N-[(3R)-1-[15-fluoro-19-(morpholine-4-carbonyl)-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaen-14-yl]pyrrolidin-3-yl]carbamate
CID 58744560
11-fluoro-10-(4-methylpiperazin-1-yl)-4-phenyl-15-(4-phenylpiperazine-1-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-14-one
CID 58743993

Frequently Asked Questions

What is the IUPAC name of 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one?
The IUPAC name of 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one (CID 142953531) is 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one.
What is the SMILES notation for 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one?
The canonical SMILES for 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one is NC1CCCN(c2c(F)cc3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2ccccc2-4)C1.
What is the InChIKey of 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one?
The InChIKey is BYUOIYNJQKAPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c26-18-12-16-21-24(22(18)29-7-3-4-15(27)13-29)34-20-6-2-1-5-19(20)30(21)14-17(23(16)31)25(32)28-8-10-33-11-9-28/h1-2,5-6,12,14-15H,3-4,7-11,13,27H2.
What are the key properties of 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one?
10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one has a molecular weight of 464.50 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-aminopiperidin-1-yl)-11-fluoro-15-(morpholine-4-carbonyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaen-14-one is sourced from PubChem (CID 142953531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).