N-tert-butylpiperazine-1-carboxamide;hydrochloride

C9H20ClN3O — CID 67462166

IUPACN-tert-butylpiperazine-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-9(2,3)11-8(13)12-6-4-10-5-7-12;/h10H,4-7H2,1-3H3,(H,11,13);1H
InChIKeyOVMNBDHYRNVLEM-UHFFFAOYSA-N
MW221.73 g/mol
LogP0.82
Rot. Bonds

About N-tert-butylpiperazine-1-carboxamide;hydrochloride

N-tert-butylpiperazine-1-carboxamide;hydrochloride (PubChem CID 67462166) has the molecular formula C9H20ClN3O and a molecular weight of 221.73 g/mol. Its IUPAC name is N-tert-butylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butylpiperazine-1-carboxamide;hydrochloride
PubChem CID67462166
Molecular FormulaC9H20ClN3O
Molecular Weight221.73 g/mol
Exact Mass221.13
IUPAC NameN-tert-butylpiperazine-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H19N3O.ClH/c1-9(2,3)11-8(13)12-6-4-10-5-7-12;/h10H,4-7H2,1-3H3,(H,11,13);1H
InChIKeyOVMNBDHYRNVLEM-UHFFFAOYSA-N
XLogP0.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-tert-butylpiperazine-1-carboxamide;hydrochloride (CID 67462166) is N-tert-butylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-tert-butylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-tert-butylpiperazine-1-carboxamide;hydrochloride is CC(C)(C)NC(=O)N1CCNCC1.Cl.
What is the InChIKey of N-tert-butylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is OVMNBDHYRNVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.ClH/c1-9(2,3)11-8(13)12-6-4-10-5-7-12;/h10H,4-7H2,1-3H3,(H,11,13);1H.
What are the key properties of N-tert-butylpiperazine-1-carboxamide;hydrochloride?
N-tert-butylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 67462166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).