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

C20H31N3O — CID 44579389

IUPACN-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-21(16-17-22-12-6-3-7-13-22)20(24)23-14-10-19(11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3
InChIKeyXOZIOSPHJVIAMM-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.40
Rot. Bonds4

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

N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 44579389) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID44579389
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-21(16-17-22-12-6-3-7-13-22)20(24)23-14-10-19(11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3
InChIKeyXOZIOSPHJVIAMM-UHFFFAOYSA-N
XLogP3.40
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide (CID 44579389) is N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is CN(CCN1CCCCC1)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is XOZIOSPHJVIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21(16-17-22-12-6-3-7-13-22)20(24)23-14-10-19(11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3.
What are the key properties of N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide?
N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-(2-piperidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 44579389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).