(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide

C14H25N3O2 — CID 129490237

IUPAC(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide
SMILESCC(C)(C#N)CCCN1CCC([C@@H](O)C(N)=O)CC1
InChIInChI=1S/C14H25N3O2/c1-14(2,10-15)6-3-7-17-8-4-11(5-9-17)12(18)13(16)19/h11-12,18H,3-9H2,1-2H3,(H2,16,19)/t12-/m1/s1
InChIKeyWNGYUXNEDNCJOR-GFCCVEGCSA-N
MW267.37 g/mol
LogP0.87
Rot. Bonds6

About (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide

(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide (PubChem CID 129490237) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide
PubChem CID129490237
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide
SMILESCC(C)(C#N)CCCN1CCC([C@@H](O)C(N)=O)CC1
InChIInChI=1S/C14H25N3O2/c1-14(2,10-15)6-3-7-17-8-4-11(5-9-17)12(18)13(16)19/h11-12,18H,3-9H2,1-2H3,(H2,16,19)/t12-/m1/s1
InChIKeyWNGYUXNEDNCJOR-GFCCVEGCSA-N
XLogP0.87
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyano-4-methylpentyl)pyrrolidine-3-carboxylic acid
CID 65255418
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
5-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpentanenitrile
CID 115302336
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257368
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
5-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanenitrile
CID 103897919
(2R)-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 129489847
2,2-dimethyl-5-[3-(methylamino)pyrrolidin-1-yl]pentanenitrile
CID 115300536
2,2-dimethyl-6-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexanenitrile
CID 106713395
(2R)-2-hydroxy-2-[1-[3-(2-methylphenyl)propyl]piperidin-4-yl]acetamide
CID 129490064
2,2-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)hexanenitrile
CID 106709915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide (CID 129490237) is (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide is CC(C)(C#N)CCCN1CCC([C@@H](O)C(N)=O)CC1.
What is the InChIKey of (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is WNGYUXNEDNCJOR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,10-15)6-3-7-17-8-4-11(5-9-17)12(18)13(16)19/h11-12,18H,3-9H2,1-2H3,(H2,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide?
(2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 267.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-cyano-4-methylpentyl)piperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 129490237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).