N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide

C14H23N3O2 — CID 78962673

IUPACN-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CC[C@@H](O)C1)C1(C#N)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(14(11-15)6-3-2-4-7-14)13(19)10-17-8-5-12(18)9-17/h12,18H,2-10H2,1H3/t12-/m1/s1
InChIKeyRALODCAZPFRDMY-GFCCVEGCSA-N
MW265.36 g/mol
LogP0.74
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide (PubChem CID 78962673) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
PubChem CID78962673
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CC[C@@H](O)C1)C1(C#N)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-16(14(11-15)6-3-2-4-7-14)13(19)10-17-8-5-12(18)9-17/h12,18H,2-10H2,1H3/t12-/m1/s1
InChIKeyRALODCAZPFRDMY-GFCCVEGCSA-N
XLogP0.74
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 65249965
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462141
tert-butyl N-[1-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55842925
N-(1-cyanocyclohexyl)-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43393702
N-(1-cyanocyclohexyl)-2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-N-methylacetamide
CID 128985750
N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 36876492
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 43091446
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51312021
N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide
CID 98844659
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 55837595
N-(1-cyanocyclopentyl)-N-methylcyclohexanecarboxamide
CID 82129288

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide (CID 78962673) is N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CC[C@@H](O)C1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is RALODCAZPFRDMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(14(11-15)6-3-2-4-7-14)13(19)10-17-8-5-12(18)9-17/h12,18H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78962673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).