4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide

C22H25N3O2 — CID 17476363

IUPAC4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-17-6-5-7-18(16-17)10-11-21(26)23-20-12-14-25(15-13-20)22(27)24-19-8-3-2-4-9-19/h2-11,16,20H,12-15H2,1H3,(H,23,26)(H,24,27)/b11-10+
InChIKeyJVPKLRFUJAEEQW-ZHACJKMWSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds4

About 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 17476363) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID17476363
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-17-6-5-7-18(16-17)10-11-21(26)23-20-12-14-25(15-13-20)22(27)24-19-8-3-2-4-9-19/h2-11,16,20H,12-15H2,1H3,(H,23,26)(H,24,27)/b11-10+
InChIKeyJVPKLRFUJAEEQW-ZHACJKMWSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 8590280
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
(E)-3-[3-[(4-hydroxypiperidine-1-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115340576
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
(E)-N-(3,3-dimethylcyclopentyl)-3-(3-methylphenyl)prop-2-enamide
CID 114550472
4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509036

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 17476363) is 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide is Cc1cccc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is JVPKLRFUJAEEQW-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-6-5-7-18(16-17)10-11-21(26)23-20-12-14-25(15-13-20)22(27)24-19-8-3-2-4-9-19/h2-11,16,20H,12-15H2,1H3,(H,23,26)(H,24,27)/b11-10+.
What are the key properties of 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 17476363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).