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

C18H23ClN4O2 — CID 108565757

IUPACN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C18H23ClN4O2/c1-18(2,10-19)17(25)22-13-5-7-23(8-6-13)16(24)12-3-4-14-15(9-12)21-11-20-14/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,21)(H,22,25)
InChIKeyLDUNBCOLTWGWNT-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.55
Rot. Bonds4

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

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide (PubChem CID 108565757) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
PubChem CID108565757
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C18H23ClN4O2/c1-18(2,10-19)17(25)22-13-5-7-23(8-6-13)16(24)12-3-4-14-15(9-12)21-11-20-14/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,21)(H,22,25)
InChIKeyLDUNBCOLTWGWNT-UHFFFAOYSA-N
XLogP2.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
tert-butyl N-[3-[[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108548264
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 108552749
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide (CID 108565757) is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
The InChIKey is LDUNBCOLTWGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-18(2,10-19)17(25)22-13-5-7-23(8-6-13)16(24)12-3-4-14-15(9-12)21-11-20-14/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,21)(H,22,25).
What are the key properties of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide?
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide has a molecular weight of 362.86 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 108565757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).