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

C20H23N3O3 — CID 110287044

IUPACphenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
SMILESCN1CCN(C(=O)[C@@H](NC(=O)Oc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-22-12-14-23(15-13-22)19(24)18(16-8-4-2-5-9-16)21-20(25)26-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyPGYKRGSNHSVZBP-SFHVURJKSA-N
MW353.42 g/mol
LogP2.29
Rot. Bonds4

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

phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate (PubChem CID 110287044) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
PubChem CID110287044
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namephenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
SMILESCN1CCN(C(=O)[C@@H](NC(=O)Oc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-22-12-14-23(15-13-22)19(24)18(16-8-4-2-5-9-16)21-20(25)26-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyPGYKRGSNHSVZBP-SFHVURJKSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
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
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
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]butanamide
CID 110286990
(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
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 115596760
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 phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate (CID 110287044) is phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate is CN1CCN(C(=O)[C@@H](NC(=O)Oc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate?
The InChIKey is PGYKRGSNHSVZBP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-12-14-23(15-13-22)19(24)18(16-8-4-2-5-9-16)21-20(25)26-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate?
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 110287044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).