(3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide

C11H19N3O — CID 98888303

IUPAC(3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN([C@H](C)C#N)C1
InChIInChI=1S/C11H19N3O/c1-3-13-11(15)10-5-4-6-14(8-10)9(2)7-12/h9-10H,3-6,8H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyJENRPFJCCUDVLB-NXEZZACHSA-N
MW209.29 g/mol
LogP0.75
Rot. Bonds3

About (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide

(3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 98888303) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide
PubChem CID98888303
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN([C@H](C)C#N)C1
InChIInChI=1S/C11H19N3O/c1-3-13-11(15)10-5-4-6-14(8-10)9(2)7-12/h9-10H,3-6,8H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyJENRPFJCCUDVLB-NXEZZACHSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
methyl (3S)-1-(1-cyanopropan-2-yl)piperidine-3-carboxylate
CID 79039548
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
N-ethyl-1-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]piperidine-3-carboxamide
CID 48938077
2-[1-(1-cyanoethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197149
(3S)-N-cyclohexyl-1-[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 52508761
2-(3-formylpiperidin-1-yl)propanenitrile
CID 62656200
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide (CID 98888303) is (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@@H]1CCCN([C@H](C)C#N)C1.
What is the InChIKey of (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is JENRPFJCCUDVLB-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-13-11(15)10-5-4-6-14(8-10)9(2)7-12/h9-10H,3-6,8H2,1-2H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide?
(3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R)-1-cyanoethyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 98888303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).