2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide

C22H30N4O3 — CID 110085800

IUPAC2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCc1nc2ccc(C(=O)N3CCCC(CC(=O)NCC4CCOCC4)C3)cc2[nH]1
InChIInChI=1S/C22H30N4O3/c1-15-24-19-5-4-18(12-20(19)25-15)22(28)26-8-2-3-17(14-26)11-21(27)23-13-16-6-9-29-10-7-16/h4-5,12,16-17H,2-3,6-11,13-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyPLRDSJQFHZINFN-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide

2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 110085800) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID110085800
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCc1nc2ccc(C(=O)N3CCCC(CC(=O)NCC4CCOCC4)C3)cc2[nH]1
InChIInChI=1S/C22H30N4O3/c1-15-24-19-5-4-18(12-20(19)25-15)22(28)26-8-2-3-17(14-26)11-21(27)23-13-16-6-9-29-10-7-16/h4-5,12,16-17H,2-3,6-11,13-14H2,1H3,(H,23,27)(H,24,25)
InChIKeyPLRDSJQFHZINFN-UHFFFAOYSA-N
XLogP2.66
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide 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

2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
N-[2-(3,4-dimethylphenoxy)ethyl]-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
CID 124992275
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-[(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetamide
CID 124972323
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
CID 125013984
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184
(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 125011280

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide (CID 110085800) is 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide is Cc1nc2ccc(C(=O)N3CCCC(CC(=O)NCC4CCOCC4)C3)cc2[nH]1.
What is the InChIKey of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is PLRDSJQFHZINFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-24-19-5-4-18(12-20(19)25-15)22(28)26-8-2-3-17(14-26)11-21(27)23-13-16-6-9-29-10-7-16/h4-5,12,16-17H,2-3,6-11,13-14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 110085800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).