N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride

C21H29ClN4O2 — CID 119393815

IUPACN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1ccc2ccccc2c1)NCCCN1CCNCC1
InChIInChI=1S/C21H28N4O2.ClH/c26-20(23-9-3-13-25-14-11-22-12-15-25)8-10-24-21(27)19-7-6-17-4-1-2-5-18(17)16-19;/h1-2,4-7,16,22H,3,8-15H2,(H,23,26)(H,24,27);1H
InChIKeyBSDBWWLTQXJAGJ-UHFFFAOYSA-N
MW404.94 g/mol
LogP1.79
Rot. Bonds8

About N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride

N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 119393815) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID119393815
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC NameN-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1ccc2ccccc2c1)NCCCN1CCNCC1
InChIInChI=1S/C21H28N4O2.ClH/c26-20(23-9-3-13-25-14-11-22-12-15-25)8-10-24-21(27)19-7-6-17-4-1-2-5-18(17)16-19;/h1-2,4-7,16,22H,3,8-15H2,(H,23,26)(H,24,27);1H
InChIKeyBSDBWWLTQXJAGJ-UHFFFAOYSA-N
XLogP1.79
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride (CID 119393815) is N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)c1ccc2ccccc2c1)NCCCN1CCNCC1.
What is the InChIKey of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is BSDBWWLTQXJAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.ClH/c26-20(23-9-3-13-25-14-11-22-12-15-25)8-10-24-21(27)19-7-6-17-4-1-2-5-18(17)16-19;/h1-2,4-7,16,22H,3,8-15H2,(H,23,26)(H,24,27);1H.
What are the key properties of N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride?
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119393815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).