N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide

C14H23N3O2 — CID 51980802

IUPACN-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC[C@H](O)C2)CCCCC1
InChIInChI=1S/C14H23N3O2/c15-11-14(6-2-1-3-7-14)16-13(19)10-17-8-4-5-12(18)9-17/h12,18H,1-10H2,(H,16,19)/t12-/m0/s1
InChIKeyXZKMBBFPEYQLIG-LBPRGKRZSA-N
MW265.36 g/mol
LogP0.79
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide

N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide (PubChem CID 51980802) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
PubChem CID51980802
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC[C@H](O)C2)CCCCC1
InChIInChI=1S/C14H23N3O2/c15-11-14(6-2-1-3-7-14)16-13(19)10-17-8-4-5-12(18)9-17/h12,18H,1-10H2,(H,16,19)/t12-/m0/s1
InChIKeyXZKMBBFPEYQLIG-LBPRGKRZSA-N
XLogP0.79
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide (CID 51980802) is N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCC[C@H](O)C2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
The InChIKey is XZKMBBFPEYQLIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-11-14(6-2-1-3-7-14)16-13(19)10-17-8-4-5-12(18)9-17/h12,18H,1-10H2,(H,16,19)/t12-/m0/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 51980802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).