(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

C20H29FN4O2 — CID 30737874

IUPAC(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H29FN4O2/c1-16(20(27)22-18-7-5-6-17(21)14-18)24-12-10-23(11-13-24)15-19(26)25-8-3-2-4-9-25/h5-7,14,16H,2-4,8-13,15H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyVIKSOYCVOAHKEW-INIZCTEOSA-N
MW376.48 g/mol
LogP1.78
Rot. Bonds5

About (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 30737874) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID30737874
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H29FN4O2/c1-16(20(27)22-18-7-5-6-17(21)14-18)24-12-10-23(11-13-24)15-19(26)25-8-3-2-4-9-25/h5-7,14,16H,2-4,8-13,15H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyVIKSOYCVOAHKEW-INIZCTEOSA-N
XLogP1.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857266
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 30723498
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55842799
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (CID 30737874) is (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is VIKSOYCVOAHKEW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-16(20(27)22-18-7-5-6-17(21)14-18)24-12-10-23(11-13-24)15-19(26)25-8-3-2-4-9-25/h5-7,14,16H,2-4,8-13,15H2,1H3,(H,22,27)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 376.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 30737874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).