3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C21H24ClN3O2 — CID 26158318

IUPAC3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)CCc3ccccc3Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-24-11-13-25(14-12-24)21(27)17-6-4-7-18(15-17)23-20(26)10-9-16-5-2-3-8-19(16)22/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyQWTURTNNOAZSSD-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.30
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 26158318) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID26158318
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCN1CCN(C(=O)c2cccc(NC(=O)CCc3ccccc3Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-24-11-13-25(14-12-24)21(27)17-6-4-7-18(15-17)23-20(26)10-9-16-5-2-3-8-19(16)22/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyQWTURTNNOAZSSD-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
(E)-3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 26157792
2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 56510698
(E)-3-(2-chlorophenyl)-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 26158644
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
CID 26158630
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 26157869
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 26158318) is 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CN1CCN(C(=O)c2cccc(NC(=O)CCc3ccccc3Cl)c2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is QWTURTNNOAZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-24-11-13-25(14-12-24)21(27)17-6-4-7-18(15-17)23-20(26)10-9-16-5-2-3-8-19(16)22/h2-8,15H,9-14H2,1H3,(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 385.90 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 26158318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).