N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

C23H34N4O3 — CID 60504287

IUPACN-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCCOC1CCCCC1
InChIInChI=1S/C23H34N4O3/c28-22(24-13-6-16-30-19-7-2-1-3-8-19)17-26-14-11-18(12-15-26)27-21-10-5-4-9-20(21)25-23(27)29/h4-5,9-10,18-19H,1-3,6-8,11-17H2,(H,24,28)(H,25,29)
InChIKeyOIKYKVPGHIWJER-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.82
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 60504287) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID60504287
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCCOC1CCCCC1
InChIInChI=1S/C23H34N4O3/c28-22(24-13-6-16-30-19-7-2-1-3-8-19)17-26-14-11-18(12-15-26)27-21-10-5-4-9-20(21)25-23(27)29/h4-5,9-10,18-19H,1-3,6-8,11-17H2,(H,24,28)(H,25,29)
InChIKeyOIKYKVPGHIWJER-UHFFFAOYSA-N
XLogP2.82
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.82
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-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 17417222
N-(3-cyclohexyloxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 74246595
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40872849
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46672115
N-(3-cyclohexyloxypropyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 87015240
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881365
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 60504287) is N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is OIKYKVPGHIWJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-22(24-13-6-16-30-19-7-2-1-3-8-19)17-26-14-11-18(12-15-26)27-21-10-5-4-9-20(21)25-23(27)29/h4-5,9-10,18-19H,1-3,6-8,11-17H2,(H,24,28)(H,25,29).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60504287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).