(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide

C13H23N3O — CID 93375201

IUPAC(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H23N3O/c1-11(2)10-16(9-5-7-14)13(17)12-6-3-4-8-15-12/h11-12,15H,3-6,8-10H2,1-2H3/t12-/m0/s1
InChIKeySZVCGZDZZNIPQZ-LBPRGKRZSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds5

About (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide

(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide (PubChem CID 93375201) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
PubChem CID93375201
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H23N3O/c1-11(2)10-16(9-5-7-14)13(17)12-6-3-4-8-15-12/h11-12,15H,3-6,8-10H2,1-2H3/t12-/m0/s1
InChIKeySZVCGZDZZNIPQZ-LBPRGKRZSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide (CID 93375201) is (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide is CC(C)CN(CCC#N)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
The InChIKey is SZVCGZDZZNIPQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)10-16(9-5-7-14)13(17)12-6-3-4-8-15-12/h11-12,15H,3-6,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide?
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide is sourced from PubChem (CID 93375201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).