(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide

C12H21N3O — CID 81123881

IUPAC(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H21N3O/c1-10(2)15(8-4-6-13)12(16)11-5-3-7-14-9-11/h10-11,14H,3-5,7-9H2,1-2H3/t11-/m1/s1
InChIKeyQDYXNZATKDYLGM-LLVKDONJSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds4

About (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide

(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 81123881) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID81123881
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C12H21N3O/c1-10(2)15(8-4-6-13)12(16)11-5-3-7-14-9-11/h10-11,14H,3-5,7-9H2,1-2H3/t11-/m1/s1
InChIKeyQDYXNZATKDYLGM-LLVKDONJSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[piperidine-3-carbonyl(propan-2-yl)amino]butanoic acid
CID 61162075
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 64823314
(3S)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140319
(3R)-N-butan-2-yl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 81140494
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N-(2-cyanoethyl)-N-propan-2-ylthiane-2-carboxamide
CID 80593789

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 81123881) is (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)N(CCC#N)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is QDYXNZATKDYLGM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15(8-4-6-13)12(16)11-5-3-7-14-9-11/h10-11,14H,3-5,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide?
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 81123881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).