N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide

C18H25N5O2 — CID 95321353

IUPACN-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(C)n1c([C@@H]2CCCN(CC(=O)NC(N)=O)C2)nc2ccccc21
InChIInChI=1S/C18H25N5O2/c1-12(2)23-15-8-4-3-7-14(15)20-17(23)13-6-5-9-22(10-13)11-16(24)21-18(19)25/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H3,19,21,24,25)/t13-/m1/s1
InChIKeyLTDGRUKWLGZISM-CYBMUJFWSA-N
MW343.43 g/mol
LogP1.99
Rot. Bonds4

About N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide

N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 95321353) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID95321353
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(C)n1c([C@@H]2CCCN(CC(=O)NC(N)=O)C2)nc2ccccc21
InChIInChI=1S/C18H25N5O2/c1-12(2)23-15-8-4-3-7-14(15)20-17(23)13-6-5-9-22(10-13)11-16(24)21-18(19)25/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H3,19,21,24,25)/t13-/m1/s1
InChIKeyLTDGRUKWLGZISM-CYBMUJFWSA-N
XLogP1.99
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 86951949
ethane;N-(1-methylpyrazol-4-yl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 144939729
2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46976995
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 99808037
3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119887269
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 92626286
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide (CID 95321353) is N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide is CC(C)n1c([C@@H]2CCCN(CC(=O)NC(N)=O)C2)nc2ccccc21.
What is the InChIKey of N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is LTDGRUKWLGZISM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)23-15-8-4-3-7-14(15)20-17(23)13-6-5-9-22(10-13)11-16(24)21-18(19)25/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H3,19,21,24,25)/t13-/m1/s1.
What are the key properties of N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95321353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).