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

C25H28ClN3O — CID 11384664

IUPACN-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
InChIKeyNORQFMPKBRSFFC-UHFFFAOYSA-N
MW421.97 g/mol
LogP4.83
Rot. Bonds7

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

N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (PubChem CID 11384664) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
PubChem CID11384664
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30)
InChIKeyNORQFMPKBRSFFC-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide (CID 11384664) is N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is O=C(NCCCCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
The InChIKey is NORQFMPKBRSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c26-23-9-3-4-10-24(23)29-17-15-28(16-18-29)14-6-5-13-27-25(30)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2,(H,27,30).
What are the key properties of N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide?
N-[4-[4-(2-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-(2-chlorophenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11384664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).