(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide

C21H32N4O2 — CID 30738137

IUPAC(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-18(21(27)22-19-9-5-4-6-10-19)24-15-13-23(14-16-24)17-20(26)25-11-7-2-3-8-12-25/h4-6,9-10,18H,2-3,7-8,11-17H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeyBTOBCYPHUSOXMM-SFHVURJKSA-N
MW372.51 g/mol
LogP2.03
Rot. Bonds5

About (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide

(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide (PubChem CID 30738137) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
PubChem CID30738137
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-18(21(27)22-19-9-5-4-6-10-19)24-15-13-23(14-16-24)17-20(26)25-11-7-2-3-8-12-25/h4-6,9-10,18H,2-3,7-8,11-17H2,1H3,(H,22,27)/t18-/m0/s1
InChIKeyBTOBCYPHUSOXMM-SFHVURJKSA-N
XLogP2.03
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 8774340
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
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
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30737865
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide (CID 30738137) is (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is BTOBCYPHUSOXMM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-18(21(27)22-19-9-5-4-6-10-19)24-15-13-23(14-16-24)17-20(26)25-11-7-2-3-8-12-25/h4-6,9-10,18H,2-3,7-8,11-17H2,1H3,(H,22,27)/t18-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide?
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 372.51 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 30738137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).