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

C22H31FN2O2 — CID 67104912

IUPAC3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
SMILESC[C@@H](C1CCCCC1)N1CC[C@](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-AOMKIAJQSA-N
MW374.50 g/mol
LogP3.92
Rot. Bonds6

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

3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide (PubChem CID 67104912) has the molecular formula C22H31FN2O2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
PubChem CID67104912
Molecular FormulaC22H31FN2O2
Molecular Weight374.50 g/mol
Exact Mass374.24
IUPAC Name3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide
SMILESC[C@@H](C1CCCCC1)N1CC[C@](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-AOMKIAJQSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The IUPAC name of 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide (CID 67104912) is 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide.
What is the SMILES notation for 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The canonical SMILES for 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide is C[C@@H](C1CCCCC1)N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)CC1=O.
What is the InChIKey of 3-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
The InChIKey is HZAOPYILZKUXRF-AOMKIAJQSA-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-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide?
3-[(4S)-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-[(4S)-1-[(1S)-1-cyclohexylethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]propanamide is sourced from PubChem (CID 67104912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).