4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide

C21H29N3O — CID 158367055

IUPAC4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CC#N)(CCC2CC2c2ccccc2)CC1
InChIInChI=1S/C21H29N3O/c1-23(2)20(25)24-14-11-21(10-13-22,12-15-24)9-8-18-16-19(18)17-6-4-3-5-7-17/h3-7,18-19H,8-12,14-16H2,1-2H3
InChIKeyGUDSISONHSHSNI-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.25
Rot. Bonds5

About 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide

4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide (PubChem CID 158367055) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide
PubChem CID158367055
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CC#N)(CCC2CC2c2ccccc2)CC1
InChIInChI=1S/C21H29N3O/c1-23(2)20(25)24-14-11-21(10-13-22,12-15-24)9-8-18-16-19(18)17-6-4-3-5-7-17/h3-7,18-19H,8-12,14-16H2,1-2H3
InChIKeyGUDSISONHSHSNI-UHFFFAOYSA-N
XLogP4.25
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide (CID 158367055) is 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CC#N)(CCC2CC2c2ccccc2)CC1.
What is the InChIKey of 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide?
The InChIKey is GUDSISONHSHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-23(2)20(25)24-14-11-21(10-13-22,12-15-24)9-8-18-16-19(18)17-6-4-3-5-7-17/h3-7,18-19H,8-12,14-16H2,1-2H3.
What are the key properties of 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide?
4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 158367055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).