N-benzylpiperazine-1-carboxamide;hydrochloride

C12H18ClN3O — CID 17400262

IUPACN-benzylpiperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)N1CCNCC1
InChIInChI=1S/C12H17N3O.ClH/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11;/h1-5,13H,6-10H2,(H,14,16);1H
InChIKeyYASPZEOFWKIMAU-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.22
Rot. Bonds2

About N-benzylpiperazine-1-carboxamide;hydrochloride

N-benzylpiperazine-1-carboxamide;hydrochloride (PubChem CID 17400262) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-benzylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzylpiperazine-1-carboxamide;hydrochloride
PubChem CID17400262
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-benzylpiperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)N1CCNCC1
InChIInChI=1S/C12H17N3O.ClH/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11;/h1-5,13H,6-10H2,(H,14,16);1H
InChIKeyYASPZEOFWKIMAU-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-benzylpiperazine-1-carboxamide;hydrochloride (CID 17400262) is N-benzylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-benzylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-benzylpiperazine-1-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)N1CCNCC1.
What is the InChIKey of N-benzylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is YASPZEOFWKIMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11;/h1-5,13H,6-10H2,(H,14,16);1H.
What are the key properties of N-benzylpiperazine-1-carboxamide;hydrochloride?
N-benzylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 17400262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).