N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide

C20H25N2O+ — CID 9091098

IUPACN-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide
SMILESCC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O/c1-2-22-14-12-19(13-15-22)21-20(23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,21,23)/p+1
InChIKeyAPAQGQQVPBJPJV-UHFFFAOYSA-O
MW309.43 g/mol
LogP2.15
Rot. Bonds4

About N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide

N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide (PubChem CID 9091098) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide
PubChem CID9091098
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC NameN-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide
SMILESCC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O/c1-2-22-14-12-19(13-15-22)21-20(23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,21,23)/p+1
InChIKeyAPAQGQQVPBJPJV-UHFFFAOYSA-O
XLogP2.15
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide
CID 9091090
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674
4-benzyl-N-cyclopropylbenzamide
CID 45086871
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
The IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide (CID 9091098) is N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide is CC[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
The InChIKey is APAQGQQVPBJPJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O/c1-2-22-14-12-19(13-15-22)21-20(23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,2,12-15H2,1H3,(H,21,23)/p+1.
What are the key properties of N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide has a molecular weight of 309.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-1-ium-4-yl)-4-phenylbenzamide is sourced from PubChem (CID 9091098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).