N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide

C22H26N2O — CID 68572281

IUPACN-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide
SMILESC=CCN1CCCCC1C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-16-24-17-10-9-15-20(24)21(18-11-5-3-6-12-18)23-22(25)19-13-7-4-8-14-19/h2-8,11-14,20-21H,1,9-10,15-17H2,(H,23,25)
InChIKeyUPWMVSNSWJBCFM-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.20
Rot. Bonds6

About N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide

N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide (PubChem CID 68572281) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide
PubChem CID68572281
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide
SMILESC=CCN1CCCCC1C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-16-24-17-10-9-15-20(24)21(18-11-5-3-6-12-18)23-22(25)19-13-7-4-8-14-19/h2-8,11-14,20-21H,1,9-10,15-17H2,(H,23,25)
InChIKeyUPWMVSNSWJBCFM-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
CID 67165261
[5-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]-2-methylphenyl] trifluoromethanesulfonate
CID 87727288
4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
CID 67165144
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
2,5-dichloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]thiophene-3-carboxamide
CID 11339141
4-amino-3,3,5,5-tetrachloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]cyclohexene-1-carboxamide
CID 67165228
[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine
CID 69184696
4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
CID 69104804
N'-[cyclopentyl(phenyl)methyl]benzohydrazide
CID 54339483
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide (CID 68572281) is N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide is C=CCN1CCCCC1C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide?
The InChIKey is UPWMVSNSWJBCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-16-24-17-10-9-15-20(24)21(18-11-5-3-6-12-18)23-22(25)19-13-7-4-8-14-19/h2-8,11-14,20-21H,1,9-10,15-17H2,(H,23,25).
What are the key properties of N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide?
N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide has a molecular weight of 334.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 68572281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).