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

C16H23N3O2 — CID 110286989

IUPACN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)N[C@H](C(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)17-15(13-7-5-4-6-8-13)16(21)19-11-9-18(2)10-12-19/h4-8,15H,3,9-12H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyRLHVWNKSYTZRLB-HNNXBMFYSA-N
MW289.38 g/mol
LogP1.03
Rot. Bonds4

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

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (PubChem CID 110286989) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
PubChem CID110286989
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCCC(=O)N[C@H](C(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-3-14(20)17-15(13-7-5-4-6-8-13)16(21)19-11-9-18(2)10-12-19/h4-8,15H,3,9-12H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyRLHVWNKSYTZRLB-HNNXBMFYSA-N
XLogP1.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.03
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]butanamide
CID 110286990
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
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]-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
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
N-[2-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]propanamide
CID 166203255
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propane-1-sulfonamide
CID 110287052
(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
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (CID 110286989) is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is CCC(=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]propanamide?
The InChIKey is RLHVWNKSYTZRLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-14(20)17-15(13-7-5-4-6-8-13)16(21)19-11-9-18(2)10-12-19/h4-8,15H,3,9-12H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.03, 4 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]propanamide is sourced from PubChem (CID 110286989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).