N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide

C29H33N3O2 — CID 3374189

IUPACN,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCCC1
InChIInChI=1S/C29H33N3O2/c1-3-31(4-2)29(34)26-21-25(17-18-27(26)32-19-9-6-10-20-32)30-28(33)24-15-13-23(14-16-24)22-11-7-5-8-12-22/h5,7-8,11-18,21H,3-4,6,9-10,19-20H2,1-2H3,(H,30,33)
InChIKeyLFTUNYAQRHMNME-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.08
Rot. Bonds7

About N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide

N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 3374189) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID3374189
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCCC1
InChIInChI=1S/C29H33N3O2/c1-3-31(4-2)29(34)26-21-25(17-18-27(26)32-19-9-6-10-20-32)30-28(33)24-15-13-23(14-16-24)22-11-7-5-8-12-22/h5,7-8,11-18,21H,3-4,6,9-10,19-20H2,1-2H3,(H,30,33)
InChIKeyLFTUNYAQRHMNME-UHFFFAOYSA-N
XLogP6.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42756099
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
5-benzamido-2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675254
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
5-benzamido-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethylbenzamide
CID 42675297
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
CID 7125440

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 3374189) is N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCCC1.
What is the InChIKey of N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is LFTUNYAQRHMNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-3-31(4-2)29(34)26-21-25(17-18-27(26)32-19-9-6-10-20-32)30-28(33)24-15-13-23(14-16-24)22-11-7-5-8-12-22/h5,7-8,11-18,21H,3-4,6,9-10,19-20H2,1-2H3,(H,30,33).
What are the key properties of N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide?
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 455.60 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3374189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).