N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide

C13H21N3O — CID 79159449

IUPACN-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C13H21N3O/c1-11-4-8-16(9-5-11)12(17)15-13(10-14)6-2-3-7-13/h11H,2-9H2,1H3,(H,15,17)
InChIKeyNYNBEWCDYZFFKD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds1

About N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide

N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79159449) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide
PubChem CID79159449
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C13H21N3O/c1-11-4-8-16(9-5-11)12(17)15-13(10-14)6-2-3-7-13/h11H,2-9H2,1H3,(H,15,17)
InChIKeyNYNBEWCDYZFFKD-UHFFFAOYSA-N
XLogP2.26
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
CID 79160127
N-(1-cyanocyclooctyl)azepane-1-carboxamide
CID 79152545
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclopentyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42334018
N-(1-cyanoethyl)-4-methylpiperidine-1-carboxamide
CID 79160605
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42333964
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
N-(1-cyanocyclopentyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823027
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide (CID 79159449) is N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is NYNBEWCDYZFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-4-8-16(9-5-11)12(17)15-13(10-14)6-2-3-7-13/h11H,2-9H2,1H3,(H,15,17).
What are the key properties of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide?
N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).