N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide

C24H38N4O — CID 91910243

IUPACN-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C3CCN(CCc4ccccc4)CC3)C2)CC1
InChIInChI=1S/C24H38N4O/c1-25-24(29)27-16-8-21(9-17-27)22-10-18-28(19-22)23-11-14-26(15-12-23)13-7-20-5-3-2-4-6-20/h2-6,21-23H,7-19H2,1H3,(H,25,29)
InChIKeyPYFOHSCHSPKJAA-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91910243) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91910243
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC NameN-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C3CCN(CCc4ccccc4)CC3)C2)CC1
InChIInChI=1S/C24H38N4O/c1-25-24(29)27-16-8-21(9-17-27)22-10-18-28(19-22)23-11-14-26(15-12-23)13-7-20-5-3-2-4-6-20/h2-6,21-23H,7-19H2,1H3,(H,25,29)
InChIKeyPYFOHSCHSPKJAA-UHFFFAOYSA-N
XLogP3.07
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91910243) is N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C3CCN(CCc4ccccc4)CC3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is PYFOHSCHSPKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-25-24(29)27-16-8-21(9-17-27)22-10-18-28(19-22)23-11-14-26(15-12-23)13-7-20-5-3-2-4-6-20/h2-6,21-23H,7-19H2,1H3,(H,25,29).
What are the key properties of N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91910243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).