4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide

C16H22N4O — CID 83269180

IUPAC4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C#N)(NCc2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)15(21)20-10-8-16(13-17,9-11-20)18-12-14-6-4-3-5-7-14/h3-7,18H,8-12H2,1-2H3
InChIKeyBBFPNAHTXPHWKD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.82
Rot. Bonds3

About 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide

4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83269180) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83269180
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C#N)(NCc2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-19(2)15(21)20-10-8-16(13-17,9-11-20)18-12-14-6-4-3-5-7-14/h3-7,18H,8-12H2,1-2H3
InChIKeyBBFPNAHTXPHWKD-UHFFFAOYSA-N
XLogP1.82
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide (CID 83269180) is 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C#N)(NCc2ccccc2)CC1.
What is the InChIKey of 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is BBFPNAHTXPHWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)15(21)20-10-8-16(13-17,9-11-20)18-12-14-6-4-3-5-7-14/h3-7,18H,8-12H2,1-2H3.
What are the key properties of 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide?
4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83269180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).