N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride

C11H15ClN4O2 — CID 167508138

IUPACN-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC(=O)N1CCNCC1)c1ccncc1
InChIInChI=1S/C11H14N4O2.ClH/c16-10(9-1-3-12-4-2-9)14-11(17)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16,17);1H
InChIKeyTTXFUHWJNDTSMJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.26
Rot. Bonds1

About N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride

N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 167508138) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
PubChem CID167508138
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC(=O)N1CCNCC1)c1ccncc1
InChIInChI=1S/C11H14N4O2.ClH/c16-10(9-1-3-12-4-2-9)14-11(17)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16,17);1H
InChIKeyTTXFUHWJNDTSMJ-UHFFFAOYSA-N
XLogP0.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167508132
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N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
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2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
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isoquinolin-6-yl(piperazin-1-yl)methanone
CID 110485113
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
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N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
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(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
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(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride (CID 167508138) is N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(NC(=O)N1CCNCC1)c1ccncc1.
What is the InChIKey of N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is TTXFUHWJNDTSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2.ClH/c16-10(9-1-3-12-4-2-9)14-11(17)15-7-5-13-6-8-15;/h1-4,13H,5-8H2,(H,14,16,17);1H.
What are the key properties of N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 167508138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).