N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

C23H29N5O3 — CID 53210253

IUPACN-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCCC1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1
InChIInChI=1S/C23H29N5O3/c1-3-16-6-4-5-10-27(16)13-18-8-7-17(31-18)12-25-22(29)19-15(2)30-23-20(19)21-24-9-11-28(21)14-26-23/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,25,29)
InChIKeyKWPVOQNWZGESIV-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.61
Rot. Bonds6

About N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide

N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (PubChem CID 53210253) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
PubChem CID53210253
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
SMILESCCC1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1
InChIInChI=1S/C23H29N5O3/c1-3-16-6-4-5-10-27(16)13-18-8-7-17(31-18)12-25-22(29)19-15(2)30-23-20(19)21-24-9-11-28(21)14-26-23/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,25,29)
InChIKeyKWPVOQNWZGESIV-UHFFFAOYSA-N
XLogP3.61
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide with MolForge

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Related Compounds

11-methyl-N-[(4-methylsulfanylphenyl)methyl]-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210308
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210254
N-[2-(3,4-dimethoxyphenyl)ethyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide
CID 53210163
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62417798
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
N-[[5-[[(2R)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 136826975
1-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924565
N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 18593788
(3S)-N-[[5-[[(2R)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 129419514
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
1-[5-[(2-ethylazepan-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 104692338

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The IUPAC name of N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide (CID 53210253) is N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide.
What is the SMILES notation for N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The canonical SMILES for N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is CCC1CCCCN1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1.
What is the InChIKey of N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
The InChIKey is KWPVOQNWZGESIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-3-16-6-4-5-10-27(16)13-18-8-7-17(31-18)12-25-22(29)19-15(2)30-23-20(19)21-24-9-11-28(21)14-26-23/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,25,29).
What are the key properties of N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide?
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-11-methyl-10-oxa-3,6,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-12-carboxamide is sourced from PubChem (CID 53210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).