N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide

C22H32N4O2 — CID 78819042

IUPACN-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)N(C)C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H32N4O2/c1-16(21(27)24(2)17-8-4-3-5-9-17)25-14-12-18(13-15-25)26-20-11-7-6-10-19(20)23-22(26)28/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3,(H,23,28)
InChIKeySSBMWDHLOACTRR-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.15
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide

N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide (PubChem CID 78819042) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
PubChem CID78819042
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
SMILESCC(C(=O)N(C)C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H32N4O2/c1-16(21(27)24(2)17-8-4-3-5-9-17)25-14-12-18(13-15-25)26-20-11-7-6-10-19(20)23-22(26)28/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3,(H,23,28)
InChIKeySSBMWDHLOACTRR-UHFFFAOYSA-N
XLogP3.15
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12915841
N-(4-bromophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46631954
3-[1-[1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46631968
3-[1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 40880204
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 46632003
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750
3-[1-[1-(2,3-dihydro-1-benzothiophen-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21281792
N-[3-(dimethylamino)cyclohexyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 167872050
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide (CID 78819042) is N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide is CC(C(=O)N(C)C1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
The InChIKey is SSBMWDHLOACTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16(21(27)24(2)17-8-4-3-5-9-17)25-14-12-18(13-15-25)26-20-11-7-6-10-19(20)23-22(26)28/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3,(H,23,28).
What are the key properties of N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide?
N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 78819042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).