N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide

C13H23N3O — CID 79160129

IUPACN-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
SMILESCCN(CC(C)C#N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-4-15(10-12(3)8-14)13(17)16-7-5-6-11(2)9-16/h11-12H,4-7,9-10H2,1-3H3
InChIKeyRCOKHYNPWQLEEE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds3

About N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide

N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide (PubChem CID 79160129) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
PubChem CID79160129
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
SMILESCCN(CC(C)C#N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H23N3O/c1-4-15(10-12(3)8-14)13(17)16-7-5-6-11(2)9-16/h11-12H,4-7,9-10H2,1-3H3
InChIKeyRCOKHYNPWQLEEE-UHFFFAOYSA-N
XLogP2.32
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79163510
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
1-[2-cyanopropyl(ethyl)carbamoyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126944
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899386
N-cyclopropyl-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 116654963
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
CID 79159247

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide (CID 79160129) is N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide is CCN(CC(C)C#N)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The InChIKey is RCOKHYNPWQLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-15(10-12(3)8-14)13(17)16-7-5-6-11(2)9-16/h11-12H,4-7,9-10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).