3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide

C22H31FN2O2 — CID 67104915

IUPAC3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
SMILESC[C@@H](C1CCCCC1)N1CCC(CCC(N)=O)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C22H31FN2O2/c1-16(17-5-3-2-4-6-17)25-14-13-22(15-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h7-10,16-17H,2-6,11-15H2,1H3,(H2,24,26)/t16-,22?/m0/s1
InChIKeyHZAOPYILZKUXRF-CISYCMJJSA-N
MW374.50 g/mol
LogP3.92
Rot. Bonds6

About 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide

3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide (PubChem CID 67104915) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
PubChem CID67104915
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
SMILESC[C@@H](C1CCCCC1)N1CCC(CCC(N)=O)(c2ccc(F)cc2)CC1=O
InChIInChI=1S/C22H31FN2O2/c1-16(17-5-3-2-4-6-17)25-14-13-22(15-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h7-10,16-17H,2-6,11-15H2,1H3,(H2,24,26)/t16-,22?/m0/s1
InChIKeyHZAOPYILZKUXRF-CISYCMJJSA-N
XLogP3.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenglutarimide
CID 102669
Fenpiverinium Bromide
CID 71489
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
Fenpiverinium
CID 71490
Butyramide, 4-diisopropylamino-2,2-diphenyl-
CID 38310
alpha,alpha-Diphenyl-1-piperidinebutanamide
CID 65573
3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide
CID 44233188
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 44288945
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 44289100
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
(1-Phenylcyclohexyl)-1-piperidinylmethanone
CID 2197578
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The IUPAC name of 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide (CID 67104915) is 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide.
What is the SMILES notation for 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The canonical SMILES for 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide is C[C@@H](C1CCCCC1)N1CCC(CCC(N)=O)(c2ccc(F)cc2)CC1=O.
What is the InChIKey of 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The InChIKey is HZAOPYILZKUXRF-CISYCMJJSA-N. The full InChI is InChI=1S/C22H31FN2O2/c1-16(17-5-3-2-4-6-17)25-14-13-22(15-21(25)27,12-11-20(24)26)18-7-9-19(23)10-8-18/h7-10,16-17H,2-6,11-15H2,1H3,(H2,24,26)/t16-,22?/m0/s1.
What are the key properties of 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide has a molecular weight of 374.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide is sourced from PubChem (CID 67104915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).