N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C24H32N6O — CID 75489517

IUPACN-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCCCCc3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C24H32N6O/c1-17-15-18(2)27-24(26-17)30-14-8-9-19(16-30)23(31)25-13-7-3-4-12-22-28-20-10-5-6-11-21(20)29-22/h5-6,10-11,15,19H,3-4,7-9,12-14,16H2,1-2H3,(H,25,31)(H,28,29)
InChIKeyWZDNNYWCCFZPQV-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.72
Rot. Bonds8

About N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 75489517) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID75489517
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NCCCCCc3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C24H32N6O/c1-17-15-18(2)27-24(26-17)30-14-8-9-19(16-30)23(31)25-13-7-3-4-12-22-28-20-10-5-6-11-21(20)29-22/h5-6,10-11,15,19H,3-4,7-9,12-14,16H2,1-2H3,(H,25,31)(H,28,29)
InChIKeyWZDNNYWCCFZPQV-UHFFFAOYSA-N
XLogP3.72
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 96558079
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-3-carboxamide
CID 96557373
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 96557748
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 75489517) is N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NCCCCCc3nc4ccccc4[nH]3)C2)n1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is WZDNNYWCCFZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-17-15-18(2)27-24(26-17)30-14-8-9-19(16-30)23(31)25-13-7-3-4-12-22-28-20-10-5-6-11-21(20)29-22/h5-6,10-11,15,19H,3-4,7-9,12-14,16H2,1-2H3,(H,25,31)(H,28,29).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)pentyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 75489517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).