4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide

C34H40ClN3O3 — CID 44532603

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide
SMILESCc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC2CC2)c1
InChIInChI=1S/C34H40ClN3O3/c1-24-4-15-31(32(22-24)41-23-25-5-6-25)26-16-20-38(21-17-26)19-3-2-18-36-33(39)27-9-13-30(14-10-27)37-34(40)28-7-11-29(35)12-8-28/h4,7-15,22,25-26H,2-3,5-6,16-21,23H2,1H3,(H,36,39)(H,37,40)
InChIKeyOTSOHZNRGXGVFC-UHFFFAOYSA-N
MW574.17 g/mol
LogP7.08
Rot. Bonds12

About 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide (PubChem CID 44532603) has the molecular formula C34H40ClN3O3 and a molecular weight of 574.17 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide
PubChem CID44532603
Molecular FormulaC34H40ClN3O3
Molecular Weight574.17 g/mol
Exact Mass573.28
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide
SMILESCc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC2CC2)c1
InChIInChI=1S/C34H40ClN3O3/c1-24-4-15-31(32(22-24)41-23-25-5-6-25)26-16-20-38(21-17-26)19-3-2-18-36-33(39)27-9-13-30(14-10-27)37-34(40)28-7-11-29(35)12-8-28/h4,7-15,22,25-26H,2-3,5-6,16-21,23H2,1H3,(H,36,39)(H,37,40)
InChIKeyOTSOHZNRGXGVFC-UHFFFAOYSA-N
XLogP7.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.17
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[1-[4-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]butyl]piperidin-4-yl]-5-methylphenyl] acetate
CID 10281210
[2-[1-[4-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]butyl]piperidin-4-yl]naphthalen-1-yl] acetate
CID 10304114
4-(4-cyanophenyl)-N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]benzamide
CID 44532853
4-(4-cyanophenyl)-N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]benzamide;hydrochloride
CID 44532852
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-[4-[4-[4-ethyl-2-(2-hydroxyethoxy)phenyl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 44532847
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
1-(4-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 27733890
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butyl]benzamide
CID 44532569
N-[4-[4-(2-ethoxy-4-methylanilino)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 68516334
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
N-(4-acetylphenyl)-3-chloro-5-(cyclopropylmethoxy)-4-ethoxybenzamide
CID 67977861

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide (CID 44532603) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide is Cc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC2CC2)c1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide?
The InChIKey is OTSOHZNRGXGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN3O3/c1-24-4-15-31(32(22-24)41-23-25-5-6-25)26-16-20-38(21-17-26)19-3-2-18-36-33(39)27-9-13-30(14-10-27)37-34(40)28-7-11-29(35)12-8-28/h4,7-15,22,25-26H,2-3,5-6,16-21,23H2,1H3,(H,36,39)(H,37,40).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide has a molecular weight of 574.17 g/mol, XLogP of 7.08, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[2-(cyclopropylmethoxy)-4-methylphenyl]piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 44532603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).