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

C18H27N3O2 — CID 110286997

IUPAC2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCN1CCN(C(=O)[C@@H](NC(=O)C(C)(C)C)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)17(23)19-15(14-8-6-5-7-9-14)16(22)21-12-10-20(4)11-13-21/h5-9,15H,10-13H2,1-4H3,(H,19,23)/t15-/m0/s1
InChIKeyRWAKQLUMSZBVER-HNNXBMFYSA-N
MW317.43 g/mol
LogP1.66
Rot. Bonds3

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

2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (PubChem CID 110286997) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
PubChem CID110286997
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCN1CCN(C(=O)[C@@H](NC(=O)C(C)(C)C)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)17(23)19-15(14-8-6-5-7-9-14)16(22)21-12-10-20(4)11-13-21/h5-9,15H,10-13H2,1-4H3,(H,19,23)/t15-/m0/s1
InChIKeyRWAKQLUMSZBVER-HNNXBMFYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
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]cyclopropanecarboxamide
CID 110286992
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
(E)-2-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306209
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
CID 110287025
3,5-dimethoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287011
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
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propane-1-sulfonamide
CID 110287052

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (CID 110286997) is 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is CN1CCN(C(=O)[C@@H](NC(=O)C(C)(C)C)c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The InChIKey is RWAKQLUMSZBVER-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)17(23)19-15(14-8-6-5-7-9-14)16(22)21-12-10-20(4)11-13-21/h5-9,15H,10-13H2,1-4H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 110286997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).