N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C14H23N3O — CID 8903348

IUPACN-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)NC2(C#N)CCCC2)C1
InChIInChI=1S/C14H23N3O/c1-12-5-4-8-17(9-12)10-13(18)16-14(11-15)6-2-3-7-14/h12H,2-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyNQCLMGFWWFWSQB-LBPRGKRZSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 8903348) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID8903348
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@H]1CCCN(CC(=O)NC2(C#N)CCCC2)C1
InChIInChI=1S/C14H23N3O/c1-12-5-4-8-17(9-12)10-13(18)16-14(11-15)6-2-3-7-14/h12H,2-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyNQCLMGFWWFWSQB-LBPRGKRZSA-N
XLogP1.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
N-(1-cyanocyclopentyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899292
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
N-(1-cyanocyclopentyl)propanamide
CID 55029198

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 8903348) is N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is C[C@H]1CCCN(CC(=O)NC2(C#N)CCCC2)C1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is NQCLMGFWWFWSQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12-5-4-8-17(9-12)10-13(18)16-14(11-15)6-2-3-7-14/h12H,2-10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8903348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).