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

C23H29N3O3 — CID 110287024

IUPACN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
SMILESCN1CCN(C(=O)[C@@H](NC(=O)CCCOc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-25-14-16-26(17-15-25)23(28)22(19-9-4-2-5-10-19)24-21(27)13-8-18-29-20-11-6-3-7-12-20/h2-7,9-12,22H,8,13-18H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyARYSRVHLKNCNFQ-QFIPXVFZSA-N
MW395.50 g/mol
LogP2.48
Rot. Bonds8

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

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide (PubChem CID 110287024) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
PubChem CID110287024
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
SMILESCN1CCN(C(=O)[C@@H](NC(=O)CCCOc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-25-14-16-26(17-15-25)23(28)22(19-9-4-2-5-10-19)24-21(27)13-8-18-29-20-11-6-3-7-12-20/h2-7,9-12,22H,8,13-18H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyARYSRVHLKNCNFQ-QFIPXVFZSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]propanamide
CID 110286989
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
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
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-phenoxybutanamide
CID 110348003
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-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 2126358
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide?
The IUPAC name of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide (CID 110287024) is N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide is CN1CCN(C(=O)[C@@H](NC(=O)CCCOc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide?
The InChIKey is ARYSRVHLKNCNFQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25-14-16-26(17-15-25)23(28)22(19-9-4-2-5-10-19)24-21(27)13-8-18-29-20-11-6-3-7-12-20/h2-7,9-12,22H,8,13-18H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide?
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide has a molecular weight of 395.50 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110287024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).