1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one

C10H17N5O — CID 104974882

IUPAC1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCn2ccnn2)CCN1
InChIInChI=1S/C10H17N5O/c1-9-8-14(6-3-11-9)10(16)2-5-15-7-4-12-13-15/h4,7,9,11H,2-3,5-6,8H2,1H3/t9-/m1/s1
InChIKeyZJZAENDYBKHXOO-SECBINFHSA-N
MW223.28 g/mol
LogP-0.51
Rot. Bonds3

About 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 104974882) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID104974882
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCn2ccnn2)CCN1
InChIInChI=1S/C10H17N5O/c1-9-8-14(6-3-11-9)10(16)2-5-15-7-4-12-13-15/h4,7,9,11H,2-3,5-6,8H2,1H3/t9-/m1/s1
InChIKeyZJZAENDYBKHXOO-SECBINFHSA-N
XLogP-0.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 114278479
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 80552633
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 104974882) is 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one is C[C@@H]1CN(C(=O)CCn2ccnn2)CCN1.
What is the InChIKey of 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is ZJZAENDYBKHXOO-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N5O/c1-9-8-14(6-3-11-9)10(16)2-5-15-7-4-12-13-15/h4,7,9,11H,2-3,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 223.28 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 104974882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).