4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide

C32H35ClN4O3 — CID 44532365

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc2[nH]cc(C3CCN(CCCCNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)c2c1
InChIInChI=1S/C32H35ClN4O3/c1-40-27-12-13-30-28(20-27)29(21-35-30)22-14-18-37(19-15-22)17-3-2-16-34-31(38)23-6-10-26(11-7-23)36-32(39)24-4-8-25(33)9-5-24/h4-13,20-22,35H,2-3,14-19H2,1H3,(H,34,38)(H,36,39)
InChIKeyGXHGBOIBZXFEGS-UHFFFAOYSA-N
MW559.11 g/mol
LogP6.47
Rot. Bonds10

About 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide (PubChem CID 44532365) has the molecular formula C32H35ClN4O3 and a molecular weight of 559.11 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide
PubChem CID44532365
Molecular FormulaC32H35ClN4O3
Molecular Weight559.11 g/mol
Exact Mass558.24
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc2[nH]cc(C3CCN(CCCCNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)c2c1
InChIInChI=1S/C32H35ClN4O3/c1-40-27-12-13-30-28(20-27)29(21-35-30)22-14-18-37(19-15-22)17-3-2-16-34-31(38)23-6-10-26(11-7-23)36-32(39)24-4-8-25(33)9-5-24/h4-13,20-22,35H,2-3,14-19H2,1H3,(H,34,38)(H,36,39)
InChIKeyGXHGBOIBZXFEGS-UHFFFAOYSA-N
XLogP6.47
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.11
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide (CID 44532365) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide is COc1ccc2[nH]cc(C3CCN(CCCCNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)c2c1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide?
The InChIKey is GXHGBOIBZXFEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4O3/c1-40-27-12-13-30-28(20-27)29(21-35-30)22-14-18-37(19-15-22)17-3-2-16-34-31(38)23-6-10-26(11-7-23)36-32(39)24-4-8-25(33)9-5-24/h4-13,20-22,35H,2-3,14-19H2,1H3,(H,34,38)(H,36,39).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide has a molecular weight of 559.11 g/mol, XLogP of 6.47, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 44532365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).