(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one

C19H33N3O2 — CID 95342180

IUPAC(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
SMILESCC(C)[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCCC1
InChIInChI=1S/C19H33N3O2/c1-15(2)17(20-9-4-3-5-10-20)19(24)22-13-11-21(12-14-22)18(23)16-7-6-8-16/h15-17H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyKCWVHESNDMFBRE-KRWDZBQOSA-N
MW335.49 g/mol
LogP1.97
Rot. Bonds4

About (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one

(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one (PubChem CID 95342180) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
PubChem CID95342180
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
SMILESCC(C)[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCCC1
InChIInChI=1S/C19H33N3O2/c1-15(2)17(20-9-4-3-5-10-20)19(24)22-13-11-21(12-14-22)18(23)16-7-6-8-16/h15-17H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyKCWVHESNDMFBRE-KRWDZBQOSA-N
XLogP1.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one with MolForge

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Related Compounds

(2R)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one
CID 95342181
3-methyl-1-piperazin-1-yl-2-piperidin-1-ylbutan-1-one;dihydrochloride
CID 119402338
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119545230
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805
(2S,3S)-1,2,3-tri(piperidin-1-yl)butan-1-one
CID 92573696
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one?
The IUPAC name of (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one (CID 95342180) is (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one is CC(C)[C@@H](C(=O)N1CCN(C(=O)C2CCC2)CC1)N1CCCCC1.
What is the InChIKey of (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one?
The InChIKey is KCWVHESNDMFBRE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(2)17(20-9-4-3-5-10-20)19(24)22-13-11-21(12-14-22)18(23)16-7-6-8-16/h15-17H,3-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one?
(2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one has a molecular weight of 335.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 95342180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).