N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide

C19H30N4O2 — CID 155899912

IUPACN-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)COCCN(Cc1ccncc1)C2
InChIInChI=1S/C19H30N4O2/c1-16(2)21-18(24)23-9-5-19(6-10-23)14-22(11-12-25-15-19)13-17-3-7-20-8-4-17/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,21,24)
InChIKeyIIGMRQSKCJXOSX-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.11
Rot. Bonds3

About N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide

N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide (PubChem CID 155899912) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
PubChem CID155899912
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)COCCN(Cc1ccncc1)C2
InChIInChI=1S/C19H30N4O2/c1-16(2)21-18(24)23-9-5-19(6-10-23)14-22(11-12-25-15-19)13-17-3-7-20-8-4-17/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,21,24)
InChIKeyIIGMRQSKCJXOSX-UHFFFAOYSA-N
XLogP2.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone
CID 97399466
3-ethylsulfonyl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399465
N-[(3-fluorophenyl)methyl]-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155833299
(3,4-dimethylphenyl)-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155856866
3-(oxan-4-ylmethyl)-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 171689870
N-propan-2-yl-1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxamide
CID 134789499
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
2-ethyl-1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 171692772
N-butan-2-yl-1'-(pyridin-4-ylmethyl)spiro[7,9-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazepine-6,4'-piperidine]-3-carboxamide
CID 131670091
(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
11-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651335
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
The IUPAC name of N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide (CID 155899912) is N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
The canonical SMILES for N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide is CC(C)NC(=O)N1CCC2(CC1)COCCN(Cc1ccncc1)C2.
What is the InChIKey of N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
The InChIKey is IIGMRQSKCJXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16(2)21-18(24)23-9-5-19(6-10-23)14-22(11-12-25-15-19)13-17-3-7-20-8-4-17/h3-4,7-8,16H,5-6,9-15H2,1-2H3,(H,21,24).
What are the key properties of N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide is sourced from PubChem (CID 155899912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).