2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate

C17H26ClN3O2 — CID 6734387

IUPAC2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate
SMILESCN1CCN(CCCNC(=O)OCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-20-9-11-21(12-10-20)8-3-7-19-17(22)23-13-6-15-4-2-5-16(18)14-15/h2,4-5,14H,3,6-13H2,1H3,(H,19,22)
InChIKeyLELFICNHPRQTHQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.25
Rot. Bonds7

About 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate

2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate (PubChem CID 6734387) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate
PubChem CID6734387
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate
SMILESCN1CCN(CCCNC(=O)OCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-20-9-11-21(12-10-20)8-3-7-19-17(22)23-13-6-15-4-2-5-16(18)14-15/h2,4-5,14H,3,6-13H2,1H3,(H,19,22)
InChIKeyLELFICNHPRQTHQ-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.25
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-[(3-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 28656848
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
2-chloroethyl N-[3-(4-benzylpiperazin-1-yl)propyl]carbamate
CID 18430905
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate?
The IUPAC name of 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate (CID 6734387) is 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate is CN1CCN(CCCNC(=O)OCCc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate?
The InChIKey is LELFICNHPRQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-20-9-11-21(12-10-20)8-3-7-19-17(22)23-13-6-15-4-2-5-16(18)14-15/h2,4-5,14H,3,6-13H2,1H3,(H,19,22).
What are the key properties of 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate?
2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate has a molecular weight of 339.87 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl N-[3-(4-methylpiperazin-1-yl)propyl]carbamate is sourced from PubChem (CID 6734387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).