N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide

C27H35FN6O — CID 46359288

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)NCCCN4CCN(c5ccccc5F)CC4)C3)[nH]c2c1
InChIInChI=1S/C27H35FN6O/c1-20-9-10-23-24(18-20)31-27(30-23)34-13-4-6-21(19-34)26(35)29-11-5-12-32-14-16-33(17-15-32)25-8-3-2-7-22(25)28/h2-3,7-10,18,21H,4-6,11-17,19H2,1H3,(H,29,35)(H,30,31)
InChIKeyCHQUCHZQFAOOQZ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.56
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 46359288) has the molecular formula C27H35FN6O and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID46359288
Molecular FormulaC27H35FN6O
Molecular Weight478.62 g/mol
Exact Mass478.29
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
SMILESCc1ccc2nc(N3CCCC(C(=O)NCCCN4CCN(c5ccccc5F)CC4)C3)[nH]c2c1
InChIInChI=1S/C27H35FN6O/c1-20-9-10-23-24(18-20)31-27(30-23)34-13-4-6-21(19-34)26(35)29-11-5-12-32-14-16-33(17-15-32)25-8-3-2-7-22(25)28/h2-3,7-10,18,21H,4-6,11-17,19H2,1H3,(H,29,35)(H,30,31)
InChIKeyCHQUCHZQFAOOQZ-UHFFFAOYSA-N
XLogP3.56
TPSA67.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92876642
(3R)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 92876876
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
CID 92876925
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876862
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876835
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92876520
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92876600

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide (CID 46359288) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide is Cc1ccc2nc(N3CCCC(C(=O)NCCCN4CCN(c5ccccc5F)CC4)C3)[nH]c2c1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is CHQUCHZQFAOOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN6O/c1-20-9-10-23-24(18-20)31-27(30-23)34-13-4-6-21(19-34)26(35)29-11-5-12-32-14-16-33(17-15-32)25-8-3-2-7-22(25)28/h2-3,7-10,18,21H,4-6,11-17,19H2,1H3,(H,29,35)(H,30,31).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46359288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).