N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide

C29H31N3O2 — CID 4645895

IUPACN-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(=O)NC2CC2)CC1
InChIInChI=1S/C29H31N3O2/c1-20-15-17-32(18-16-20)27-14-13-25(19-26(27)29(34)30-24-11-12-24)31-28(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,13-14,19-20,24H,11-12,15-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyVRIOWEFMBJUAJA-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.73
Rot. Bonds6

About N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide

N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide (PubChem CID 4645895) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
PubChem CID4645895
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(=O)NC2CC2)CC1
InChIInChI=1S/C29H31N3O2/c1-20-15-17-32(18-16-20)27-14-13-25(19-26(27)29(34)30-24-11-12-24)31-28(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,13-14,19-20,24H,11-12,15-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyVRIOWEFMBJUAJA-UHFFFAOYSA-N
XLogP5.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.73
H-Bond Donors ≤ 52
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-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 4313980
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
N-cyclopropyl-5-[(2,6-dimethylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1067391
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
N-[3-(cyclopropylcarbamoyl)-4-(4-methylpiperidin-1-yl)phenyl]adamantane-1-carboxamide
CID 3262158
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 5032555

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide (CID 4645895) is N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide?
The InChIKey is VRIOWEFMBJUAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-20-15-17-32(18-16-20)27-14-13-25(19-26(27)29(34)30-24-11-12-24)31-28(33)23-9-7-22(8-10-23)21-5-3-2-4-6-21/h2-10,13-14,19-20,24H,11-12,15-18H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide?
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide has a molecular weight of 453.59 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide is sourced from PubChem (CID 4645895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).