N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

C25H28ClN3O — CID 19608536

IUPACN-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
InChIKeyFHBMSKSIPMUQOG-UHFFFAOYSA-N
MW421.97 g/mol
LogP4.83
Rot. Bonds7

About N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide

N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (PubChem CID 19608536) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
PubChem CID19608536
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30)
InChIKeyFHBMSKSIPMUQOG-UHFFFAOYSA-N
XLogP4.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ngb 2904
CID 9891901
(S)-N-(1-(4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-naphthamide
CID 25105713
[4-(3-Chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 154699440
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
CID 11384664
Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
CID 21460314
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide
CID 57873520
N-[5-phenyl-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 23647412
SARS-CoV-2 PLpro Inhibitor, 20
CID 156907262

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (CID 19608536) is N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is O=C(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The InChIKey is FHBMSKSIPMUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c26-23-8-5-9-24(19-23)29-16-14-28(15-17-29)13-4-3-12-27-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19H,3-4,12-17H2,(H,27,30).
What are the key properties of N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide has a molecular weight of 421.97 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 19608536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).