3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C24H35N5O2 — CID 155985492

IUPAC3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCCC(C)(C(=O)NC4CCN(C(C)C)CC4)C3)cc2[nH]1
InChIInChI=1S/C24H35N5O2/c1-16(2)28-12-8-19(9-13-28)27-23(31)24(4)10-5-11-29(15-24)22(30)18-6-7-20-21(14-18)26-17(3)25-20/h6-7,14,16,19H,5,8-13,15H2,1-4H3,(H,25,26)(H,27,31)
InChIKeyIWAIZDSYCYHRIY-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.10
Rot. Bonds4

About 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 155985492) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID155985492
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCCC(C)(C(=O)NC4CCN(C(C)C)CC4)C3)cc2[nH]1
InChIInChI=1S/C24H35N5O2/c1-16(2)28-12-8-19(9-13-28)27-23(31)24(4)10-5-11-29(15-24)22(30)18-6-7-20-21(14-18)26-17(3)25-20/h6-7,14,16,19H,5,8-13,15H2,1-4H3,(H,25,26)(H,27,31)
InChIKeyIWAIZDSYCYHRIY-UHFFFAOYSA-N
XLogP3.10
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
[3-hydroxy-3-(2-methoxyphenyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 46964804
4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
CID 92634449
(3S)-3-(3-methoxypropyl)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 97137422
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
[(4R)-4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 97110069
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110098110
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
(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
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 155985492) is 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is Cc1nc2ccc(C(=O)N3CCCC(C)(C(=O)NC4CCN(C(C)C)CC4)C3)cc2[nH]1.
What is the InChIKey of 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is IWAIZDSYCYHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-16(2)28-12-8-19(9-13-28)27-23(31)24(4)10-5-11-29(15-24)22(30)18-6-7-20-21(14-18)26-17(3)25-20/h6-7,14,16,19H,5,8-13,15H2,1-4H3,(H,25,26)(H,27,31).
What are the key properties of 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 155985492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).