N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide

C17H25N3O2 — CID 110286990

IUPACN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
SMILESCCCC(=O)N[C@H](C(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-3-7-15(21)18-16(14-8-5-4-6-9-14)17(22)20-12-10-19(2)11-13-20/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyXADHAFURFUKBHC-INIZCTEOSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds5

About N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide (PubChem CID 110286990) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
PubChem CID110286990
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
SMILESCCCC(=O)N[C@H](C(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-3-7-15(21)18-16(14-8-5-4-6-9-14)17(22)20-12-10-19(2)11-13-20/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyXADHAFURFUKBHC-INIZCTEOSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110306196
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110426726
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propane-1-sulfonamide
CID 110287052
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
(E)-2-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306209
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
CID 110287025

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide?
The IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide (CID 110286990) is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide.
What is the SMILES notation for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide?
The canonical SMILES for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide is CCCC(=O)N[C@H](C(=O)N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide?
The InChIKey is XADHAFURFUKBHC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-7-15(21)18-16(14-8-5-4-6-9-14)17(22)20-12-10-19(2)11-13-20/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide?
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide has a molecular weight of 303.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide is sourced from PubChem (CID 110286990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).