1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile

C19H28N4O2 — CID 131689940

IUPAC1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)CCCC1
InChIInChI=1S/C19H28N4O2/c20-14-18(5-1-2-6-18)17(25)22-10-7-19(8-11-22)16(24)21-9-12-23(19)13-15-3-4-15/h15H,1-13H2,(H,21,24)
InChIKeyKDAJMQJGRQVQQW-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile

1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 131689940) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
PubChem CID131689940
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)CCCC1
InChIInChI=1S/C19H28N4O2/c20-14-18(5-1-2-6-18)17(25)22-10-7-19(8-11-22)16(24)21-9-12-23(19)13-15-3-4-15/h15H,1-13H2,(H,21,24)
InChIKeyKDAJMQJGRQVQQW-UHFFFAOYSA-N
XLogP1.27
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile with MolForge

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Related Compounds

1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
CID 62046426
1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95590992
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
1-(cyclopropylmethyl)-9-thiophen-2-ylsulfonyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495842
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-(6'-methyl-5'-oxospiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-1-carbonyl)cyclopentane-1-carbonitrile
CID 131690998
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile (CID 131689940) is 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCC3(CC2)C(=O)NCCN3CC2CC2)CCCC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is KDAJMQJGRQVQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-14-18(5-1-2-6-18)17(25)22-10-7-19(8-11-22)16(24)21-9-12-23(19)13-15-3-4-15/h15H,1-13H2,(H,21,24).
What are the key properties of 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile?
1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 344.46 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131689940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).