N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide

C23H25ClN4O3 — CID 108552749

IUPACN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc(C)c1Cl
InChIInChI=1S/C23H25ClN4O3/c1-14-9-18(10-15(2)22(14)24)31-12-21(29)27-17-5-7-28(8-6-17)23(30)16-3-4-19-20(11-16)26-13-25-19/h3-4,9-11,13,17H,5-8,12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyCICBYPMEHNAJRL-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.63
Rot. Bonds5

About N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 108552749) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID108552749
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc(C)c1Cl
InChIInChI=1S/C23H25ClN4O3/c1-14-9-18(10-15(2)22(14)24)31-12-21(29)27-17-5-7-28(8-6-17)23(30)16-3-4-19-20(11-16)26-13-25-19/h3-4,9-11,13,17H,5-8,12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyCICBYPMEHNAJRL-UHFFFAOYSA-N
XLogP3.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553251
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108552761
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108565757
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 108552749) is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)NC2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc(C)c1Cl.
What is the InChIKey of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is CICBYPMEHNAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-14-9-18(10-15(2)22(14)24)31-12-21(29)27-17-5-7-28(8-6-17)23(30)16-3-4-19-20(11-16)26-13-25-19/h3-4,9-11,13,17H,5-8,12H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 440.93 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 108552749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).