N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide

C15H27N3O — CID 63131514

IUPACN-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)N(CCC#N)CC(C)C)CCCNC1
InChIInChI=1S/C15H27N3O/c1-4-15(7-5-9-17-12-15)14(19)18(10-6-8-16)11-13(2)3/h13,17H,4-7,9-12H2,1-3H3
InChIKeySEBWQPIVVCHWJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.16
Rot. Bonds6

About N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide

N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 63131514) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID63131514
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)N(CCC#N)CC(C)C)CCCNC1
InChIInChI=1S/C15H27N3O/c1-4-15(7-5-9-17-12-15)14(19)18(10-6-8-16)11-13(2)3/h13,17H,4-7,9-12H2,1-3H3
InChIKeySEBWQPIVVCHWJN-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-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-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904
1-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 54873665
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 63135315
N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
3-ethyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 63131049
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62674909
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
CID 63138343
N-(1-cyanopropan-2-yl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63224988
N-(2-cyanopropyl)-N-methyl-3-propylpiperidine-3-carboxamide
CID 63131813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide (CID 63131514) is N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide is CCC1(C(=O)N(CCC#N)CC(C)C)CCCNC1.
What is the InChIKey of N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is SEBWQPIVVCHWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-15(7-5-9-17-12-15)14(19)18(10-6-8-16)11-13(2)3/h13,17H,4-7,9-12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide?
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).