N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide

C24H26ClN3O — CID 18282245

IUPACN-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26ClN3O/c1-18(24(29)26-23-12-5-4-11-22(23)25)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18H,13-17H2,1H3,(H,26,29)
InChIKeyWHVZSCPMQTYZQH-UHFFFAOYSA-N
MW407.95 g/mol
LogP4.64
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide

N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 18282245) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
PubChem CID18282245
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC NameN-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26ClN3O/c1-18(24(29)26-23-12-5-4-11-22(23)25)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18H,13-17H2,1H3,(H,26,29)
InChIKeyWHVZSCPMQTYZQH-UHFFFAOYSA-N
XLogP4.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2R)-N-(2-chlorophenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]propanamide
CID 30725312
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 94762816
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
N-(2-chlorophenyl)-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 112798956
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide (CID 18282245) is N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1Cl)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is WHVZSCPMQTYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-18(24(29)26-23-12-5-4-11-22(23)25)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18H,13-17H2,1H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 407.95 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18282245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).