1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide

C30H39ClN4O3 — CID 57331274

IUPAC1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccccc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C30H39ClN4O3/c1-23(36)34-19-13-26(14-20-34)30(38)35(28-10-5-9-27(31)21-28)16-6-15-33-17-11-25(12-18-33)29(37)32-22-24-7-3-2-4-8-24/h2-5,7-10,21,25-26H,6,11-20,22H2,1H3,(H,32,37)
InChIKeyDBOUOFYQUOJCDW-UHFFFAOYSA-N
MW539.12 g/mol
LogP4.35
Rot. Bonds9

About 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide

1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide (PubChem CID 57331274) has the molecular formula C30H39ClN4O3 and a molecular weight of 539.12 g/mol. Its IUPAC name is 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide
PubChem CID57331274
Molecular FormulaC30H39ClN4O3
Molecular Weight539.12 g/mol
Exact Mass538.27
IUPAC Name1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccccc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C30H39ClN4O3/c1-23(36)34-19-13-26(14-20-34)30(38)35(28-10-5-9-27(31)21-28)16-6-15-33-17-11-25(12-18-33)29(37)32-22-24-7-3-2-4-8-24/h2-5,7-10,21,25-26H,6,11-20,22H2,1H3,(H,32,37)
InChIKeyDBOUOFYQUOJCDW-UHFFFAOYSA-N
XLogP4.35
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.12
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539187
1-acetyl-N-[3-[(1-benzylpiperidin-4-yl)amino]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 18538481
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-ethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 57331340
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 18539084
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 69313655
1-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylsulfanyl)piperidin-1-yl]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;hydrochloride
CID 18538919
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]propyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539142
1-acetyl-N-[3-[4-(1,3-benzothiazol-2-ylsulfanyl)piperidin-1-yl]propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539114
1-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3-chlorophenyl)-3-(4-chlorophenyl)urea
CID 3008344
1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
CID 141232304
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
CID 139898814

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide (CID 57331274) is 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccccc3)CC2)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide?
The InChIKey is DBOUOFYQUOJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN4O3/c1-23(36)34-19-13-26(14-20-34)30(38)35(28-10-5-9-27(31)21-28)16-6-15-33-17-11-25(12-18-33)29(37)32-22-24-7-3-2-4-8-24/h2-5,7-10,21,25-26H,6,11-20,22H2,1H3,(H,32,37).
What are the key properties of 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide?
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide has a molecular weight of 539.12 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 57331274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).