N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride

C22H26ClN5O2 — CID 120877375

IUPACN-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N5O2.ClH/c1-26-12-11-24-21(26)19-15-23-10-13-27(19)20(28)8-9-25-22(29)18-7-6-16-4-2-3-5-17(16)14-18;/h2-7,11-12,14,19,23H,8-10,13,15H2,1H3,(H,25,29);1H
InChIKeyYYKAWZUSJIUMTA-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.29
Rot. Bonds5

About N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride

N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 120877375) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID120877375
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N5O2.ClH/c1-26-12-11-24-21(26)19-15-23-10-13-27(19)20(28)8-9-25-22(29)18-7-6-16-4-2-3-5-17(16)14-18;/h2-7,11-12,14,19,23H,8-10,13,15H2,1H3,(H,25,29);1H
InChIKeyYYKAWZUSJIUMTA-UHFFFAOYSA-N
XLogP2.29
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120878290
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120878619
1-(4-methoxyphenyl)-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 120877364
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 120879518
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 120878210
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
CID 120880193
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione;hydrochloride
CID 120880653
3-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880881
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride (CID 120877375) is N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is YYKAWZUSJIUMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.ClH/c1-26-12-11-24-21(26)19-15-23-10-13-27(19)20(28)8-9-25-22(29)18-7-6-16-4-2-3-5-17(16)14-18;/h2-7,11-12,14,19,23H,8-10,13,15H2,1H3,(H,25,29);1H.
What are the key properties of N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 427.94 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120877375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).