(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride

C12H18ClN3O — CID 166001504

IUPAC(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
SMILESC[C@H]1CN(C(=O)Nc2ccccc2)CCN1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-10-9-15(8-7-13-10)12(16)14-11-5-3-2-4-6-11;/h2-6,10,13H,7-9H2,1H3,(H,14,16);1H/t10-;/m0./s1
InChIKeyAIJIHKGWVGEHBZ-PPHPATTJSA-N
MW255.75 g/mol
LogP1.93
Rot. Bonds1

About (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride

(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride (PubChem CID 166001504) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
PubChem CID166001504
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
SMILESC[C@H]1CN(C(=O)Nc2ccccc2)CCN1.Cl
InChIInChI=1S/C12H17N3O.ClH/c1-10-9-15(8-7-13-10)12(16)14-11-5-3-2-4-6-11;/h2-6,10,13H,7-9H2,1H3,(H,14,16);1H/t10-;/m0./s1
InChIKeyAIJIHKGWVGEHBZ-PPHPATTJSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
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(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
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1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride (CID 166001504) is (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride is C[C@H]1CN(C(=O)Nc2ccccc2)CCN1.Cl.
What is the InChIKey of (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is AIJIHKGWVGEHBZ-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c1-10-9-15(8-7-13-10)12(16)14-11-5-3-2-4-6-11;/h2-6,10,13H,7-9H2,1H3,(H,14,16);1H/t10-;/m0./s1.
What are the key properties of (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride?
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 166001504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).