4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide

C18H24ClN3O3 — CID 9181207

IUPAC4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-13(15-4-3-5-16(19)12-15)20-17(24)6-7-18(25)22-10-8-21(9-11-22)14(2)23/h3-5,12-13H,6-11H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyULZHADYYQBLFEM-ZDUSSCGKSA-N
MW365.86 g/mol
LogP1.99
Rot. Bonds5

About 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide

4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide (PubChem CID 9181207) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
PubChem CID9181207
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClN3O3/c1-13(15-4-3-5-16(19)12-15)20-17(24)6-7-18(25)22-10-8-21(9-11-22)14(2)23/h3-5,12-13H,6-11H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyULZHADYYQBLFEM-ZDUSSCGKSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate
CID 9063151
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 9427010
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81372026
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
CID 81371649
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide (CID 9181207) is 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide is CC(=O)N1CCN(C(=O)CCC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide?
The InChIKey is ULZHADYYQBLFEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-13(15-4-3-5-16(19)12-15)20-17(24)6-7-18(25)22-10-8-21(9-11-22)14(2)23/h3-5,12-13H,6-11H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide?
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide has a molecular weight of 365.86 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 9181207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).