bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone

C19H34N4O — CID 174680889

IUPACbis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C2CCC2)CCN1C(=O)N1CCN(C2CCC2)C[C@H]1C
InChIInChI=1S/C19H34N4O/c1-15-13-20(17-5-3-6-17)9-11-22(15)19(24)23-12-10-21(14-16(23)2)18-7-4-8-18/h15-18H,3-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyPEJCTWRHUDVHDB-HZPDHXFCSA-N
MW334.51 g/mol
LogP2.22
Rot. Bonds2

About bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone

bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone (PubChem CID 174680889) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namebis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone
PubChem CID174680889
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Namebis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C2CCC2)CCN1C(=O)N1CCN(C2CCC2)C[C@H]1C
InChIInChI=1S/C19H34N4O/c1-15-13-20(17-5-3-6-17)9-11-22(15)19(24)23-12-10-21(14-16(23)2)18-7-4-8-18/h15-18H,3-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyPEJCTWRHUDVHDB-HZPDHXFCSA-N
XLogP2.22
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
CID 145118975
4-[2-[(2S)-4-cyclobutyl-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 67540478
2,2-dimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 78992341
2,2,2-trifluoro-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 78960092
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 78959510
2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 167873034
2-amino-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119888242
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)but-2-en-1-one
CID 78992321
ethyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 78992352
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 79931310

Frequently Asked Questions

What is the IUPAC name of bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone?
The IUPAC name of bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone (CID 174680889) is bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C2CCC2)CCN1C(=O)N1CCN(C2CCC2)C[C@H]1C.
What is the InChIKey of bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone?
The InChIKey is PEJCTWRHUDVHDB-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H34N4O/c1-15-13-20(17-5-3-6-17)9-11-22(15)19(24)23-12-10-21(14-16(23)2)18-7-4-8-18/h15-18H,3-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone?
bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone has a molecular weight of 334.51 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R)-4-cyclobutyl-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 174680889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).