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

C17H23N3O2 — CID 110286992

IUPACN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)[C@@H](NC(=O)C2CC2)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c1-19-9-11-20(12-10-19)17(22)15(13-5-3-2-4-6-13)18-16(21)14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyZYRUZZLHDXELOC-HNNXBMFYSA-N
MW301.39 g/mol
LogP1.03
Rot. Bonds4

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

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide (PubChem CID 110286992) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
PubChem CID110286992
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)[C@@H](NC(=O)C2CC2)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c1-19-9-11-20(12-10-19)17(22)15(13-5-3-2-4-6-13)18-16(21)14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyZYRUZZLHDXELOC-HNNXBMFYSA-N
XLogP1.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
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]propanamide
CID 110286989
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
1-cyclohexyl-3-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]urea
CID 110287025
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
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
(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
(2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidine-4-carbonyl]amino]-2-phenylacetic acid;hydrochloride
CID 52994086
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110426726
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide (CID 110286992) is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide is CN1CCN(C(=O)[C@@H](NC(=O)C2CC2)c2ccccc2)CC1.
What is the InChIKey of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide?
The InChIKey is ZYRUZZLHDXELOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-9-11-20(12-10-19)17(22)15(13-5-3-2-4-6-13)18-16(21)14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide?
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide has a molecular weight of 301.39 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]cyclopropanecarboxamide is sourced from PubChem (CID 110286992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).