N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

C26H35N3O — CID 44579431

IUPACN-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C26H35N3O/c1-27(21-22-28-17-9-4-10-18-28)25(30)29-19-15-26(16-20-29,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14H,4,9-10,15-22H2,1H3
InChIKeyFFLHDIGZHOSZGS-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.61
Rot. Bonds5

About N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide

N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579431) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579431
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C26H35N3O/c1-27(21-22-28-17-9-4-10-18-28)25(30)29-19-15-26(16-20-29,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14H,4,9-10,15-22H2,1H3
InChIKeyFFLHDIGZHOSZGS-UHFFFAOYSA-N
XLogP4.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579431) is N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is FFLHDIGZHOSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-27(21-22-28-17-9-4-10-18-28)25(30)29-19-15-26(16-20-29,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14H,4,9-10,15-22H2,1H3.
What are the key properties of N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,4-diphenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).