N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride

C16H18ClN3O2 — CID 167508132

IUPACN-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC(=O)N1CCNCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O2.ClH/c20-15(18-16(21)19-9-7-17-8-10-19)14-6-5-12-3-1-2-4-13(12)11-14;/h1-6,11,17H,7-10H2,(H,18,20,21);1H
InChIKeyLDHANEFXCARICV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.02
Rot. Bonds1

About N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride

N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 167508132) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride
PubChem CID167508132
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC(=O)N1CCNCC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O2.ClH/c20-15(18-16(21)19-9-7-17-8-10-19)14-6-5-12-3-1-2-4-13(12)11-14;/h1-6,11,17H,7-10H2,(H,18,20,21);1H
InChIKeyLDHANEFXCARICV-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
naphthalene-2-carboxylic acid;dihydrochloride
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N-(2-hydroxybenzoyl)naphthalene-2-carboxamide
CID 57386028
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616
1-naphthalen-2-yl-5-piperazin-1-ylpentan-1-one
CID 59200501
naphthalene-2-carboxylic acid
CID 175967775
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
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1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
CID 122383489

Frequently Asked Questions

What is the IUPAC name of N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride (CID 167508132) is N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(NC(=O)N1CCNCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is LDHANEFXCARICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.ClH/c20-15(18-16(21)19-9-7-17-8-10-19)14-6-5-12-3-1-2-4-13(12)11-14;/h1-6,11,17H,7-10H2,(H,18,20,21);1H.
What are the key properties of N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride?
N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalene-2-carbonyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 167508132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).