N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide

C25H23Cl2N3O3 — CID 55660916

IUPACN-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H23Cl2N3O3/c26-20-7-8-21(22(27)16-20)25(33)30-13-11-29(12-14-30)23(31)9-10-28-24(32)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16H,9-14H2,(H,28,32)
InChIKeyUJEGBQABCVEQJB-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.25
Rot. Bonds5

About N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55660916) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55660916
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC NameN-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C25H23Cl2N3O3/c26-20-7-8-21(22(27)16-20)25(33)30-13-11-29(12-14-30)23(31)9-10-28-24(32)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16H,9-14H2,(H,28,32)
InChIKeyUJEGBQABCVEQJB-UHFFFAOYSA-N
XLogP4.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852451
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
CID 31882746
N-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589113
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110603511
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 31886454

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide (CID 55660916) is N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide is O=C(NCCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is UJEGBQABCVEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c26-20-7-8-21(22(27)16-20)25(33)30-13-11-29(12-14-30)23(31)9-10-28-24(32)19-6-5-17-3-1-2-4-18(17)15-19/h1-8,15-16H,9-14H2,(H,28,32).
What are the key properties of N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55660916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).