N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide

C21H24N2O2 — CID 23723782

IUPACN-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-22-21(25)23-14-6-9-19(15-23)20(24)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,25)
InChIKeyMFTOJNUSYWCNCL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.98
Rot. Bonds4

About N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide

N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide (PubChem CID 23723782) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
PubChem CID23723782
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H24N2O2/c1-2-22-21(25)23-14-6-9-19(15-23)20(24)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,25)
InChIKeyMFTOJNUSYWCNCL-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide (CID 23723782) is N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide is CCNC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
The InChIKey is MFTOJNUSYWCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-22-21(25)23-14-6-9-19(15-23)20(24)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,25).
What are the key properties of N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide?
N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 23723782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).