5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide

C28H31N3O3 — CID 4302536

IUPAC5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C28H31N3O3/c1-20(21-9-5-3-6-10-21)29-28(33)25-19-23(13-16-26(25)31-17-7-4-8-18-31)30-27(32)22-11-14-24(34-2)15-12-22/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyZYNZDVVFDAKPDS-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.43
Rot. Bonds7

About 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide

5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide (PubChem CID 4302536) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
PubChem CID4302536
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C28H31N3O3/c1-20(21-9-5-3-6-10-21)29-28(33)25-19-23(13-16-26(25)31-17-7-4-8-18-31)30-27(32)22-11-14-24(34-2)15-12-22/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyZYNZDVVFDAKPDS-UHFFFAOYSA-N
XLogP5.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
5-[(4-ethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 93099771
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302250
5-[[(2S)-2-chloropropanoyl]amino]-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066160
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 98292724
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3430014
5-[(2,2-diphenylacetyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)benzamide
CID 3900419
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 3959596
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
CID 1059167

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide (CID 4302536) is 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is ZYNZDVVFDAKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20(21-9-5-3-6-10-21)29-28(33)25-19-23(13-16-26(25)31-17-7-4-8-18-31)30-27(32)22-11-14-24(34-2)15-12-22/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4302536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).