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

C22H33N5O2 — CID 86951949

IUPACN-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C22H33N5O2/c1-4-5-12-23-22(29)25-20(28)15-26-13-8-9-17(14-26)21-24-18-10-6-7-11-19(18)27(21)16(2)3/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H2,23,25,28,29)
InChIKeyUYLRVRGGJLQVNU-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.42
Rot. Bonds7

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

N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 86951949) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
PubChem CID86951949
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCCC(c2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C22H33N5O2/c1-4-5-12-23-22(29)25-20(28)15-26-13-8-9-17(14-26)21-24-18-10-6-7-11-19(18)27(21)16(2)3/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H2,23,25,28,29)
InChIKeyUYLRVRGGJLQVNU-UHFFFAOYSA-N
XLogP3.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
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
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
(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
(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 9388195
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-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide (CID 86951949) is N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide is CCCCNC(=O)NC(=O)CN1CCCC(c2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is UYLRVRGGJLQVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-4-5-12-23-22(29)25-20(28)15-26-13-8-9-17(14-26)21-24-18-10-6-7-11-19(18)27(21)16(2)3/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H2,23,25,28,29).
What are the key properties of N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide?
N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86951949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).