1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

C29H37ClFN3O2 — CID 3013681

IUPAC1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C29H37ClFN3O2/c1-22(35)33-18-12-25(13-19-33)29(36)34(28-5-2-4-26(30)21-28)15-3-14-32-16-10-24(11-17-32)20-23-6-8-27(31)9-7-23/h2,4-9,21,24-25H,3,10-20H2,1H3
InChIKeyKDTDKBOHHYRQTN-UHFFFAOYSA-N
MW514.09 g/mol
LogP5.42
Rot. Bonds8

About 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide

1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 3013681) has the molecular formula C29H37ClFN3O2 and a molecular weight of 514.09 g/mol. Its IUPAC name is 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID3013681
Molecular FormulaC29H37ClFN3O2
Molecular Weight514.09 g/mol
Exact Mass513.26
IUPAC Name1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1
InChIInChI=1S/C29H37ClFN3O2/c1-22(35)33-18-12-25(13-19-33)29(36)34(28-5-2-4-26(30)21-28)15-3-14-32-16-10-24(11-17-32)20-23-6-8-27(31)9-7-23/h2,4-9,21,24-25H,3,10-20H2,1H3
InChIKeyKDTDKBOHHYRQTN-UHFFFAOYSA-N
XLogP5.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.09
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide (CID 3013681) is 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is KDTDKBOHHYRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClFN3O2/c1-22(35)33-18-12-25(13-19-33)29(36)34(28-5-2-4-26(30)21-28)15-3-14-32-16-10-24(11-17-32)20-23-6-8-27(31)9-7-23/h2,4-9,21,24-25H,3,10-20H2,1H3.
What are the key properties of 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide?
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 514.09 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 3013681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).