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

C22H30N4O2 — CID 17417222

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCC1=CCCCC1
InChIInChI=1S/C22H30N4O2/c27-21(23-13-10-17-6-2-1-3-7-17)16-25-14-11-18(12-15-25)26-20-9-5-4-8-19(20)24-22(26)28/h4-6,8-9,18H,1-3,7,10-16H2,(H,23,27)(H,24,28)
InChIKeyVFHGVUXODLYXNS-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.97
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 17417222) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID17417222
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCC1=CCCCC1
InChIInChI=1S/C22H30N4O2/c27-21(23-13-10-17-6-2-1-3-7-17)16-25-14-11-18(12-15-25)26-20-9-5-4-8-19(20)24-22(26)28/h4-6,8-9,18H,1-3,7,10-16H2,(H,23,27)(H,24,28)
InChIKeyVFHGVUXODLYXNS-UHFFFAOYSA-N
XLogP2.97
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504287
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
CID 166232642
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46672115
3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one
CID 82084909
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 40880372
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 24534438
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881365
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 17417222) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is VFHGVUXODLYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-21(23-13-10-17-6-2-1-3-7-17)16-25-14-11-18(12-15-25)26-20-9-5-4-8-19(20)24-22(26)28/h4-6,8-9,18H,1-3,7,10-16H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 17417222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).