1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

C21H26N4O2 — CID 131684846

IUPAC1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CCCC1
InChIInChI=1S/C21H26N4O2/c22-16-20(6-1-2-7-20)19(27)24-13-9-21(10-14-24)8-3-18(26)25(21)15-17-4-11-23-12-5-17/h4-5,11-12H,1-3,6-10,13-15H2
InChIKeySDLAURIFUNTGDB-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 131684846) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
PubChem CID131684846
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CCCC1
InChIInChI=1S/C21H26N4O2/c22-16-20(6-1-2-7-20)19(27)24-13-9-21(10-14-24)8-3-18(26)25(21)15-17-4-11-23-12-5-17/h4-5,11-12H,1-3,6-10,13-15H2
InChIKeySDLAURIFUNTGDB-UHFFFAOYSA-N
XLogP2.65
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (CID 131684846) is 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)CCCC1.
What is the InChIKey of 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is SDLAURIFUNTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-16-20(6-1-2-7-20)19(27)24-13-9-21(10-14-24)8-3-18(26)25(21)15-17-4-11-23-12-5-17/h4-5,11-12H,1-3,6-10,13-15H2.
What are the key properties of 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131684846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).