1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C24H30N2O2 — CID 42096263

IUPAC1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)cc1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)20-11-9-18(10-12-20)23(28)19-7-6-16-26(17-19)22(27)14-13-21-8-4-5-15-25-21/h4-5,8-12,15,19H,6-7,13-14,16-17H2,1-3H3/t19-/m1/s1
InChIKeyVMZYOBZBMFQOPN-LJQANCHMSA-N
MW378.52 g/mol
LogP4.43
Rot. Bonds5

About 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 42096263) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID42096263
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)cc1
InChIInChI=1S/C24H30N2O2/c1-24(2,3)20-11-9-18(10-12-20)23(28)19-7-6-16-26(17-19)22(27)14-13-21-8-4-5-15-25-21/h4-5,8-12,15,19H,6-7,13-14,16-17H2,1-3H3/t19-/m1/s1
InChIKeyVMZYOBZBMFQOPN-LJQANCHMSA-N
XLogP4.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
1-[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-2-(tetrazol-2-yl)ethanone
CID 95714976
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289949
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 42096263) is 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3ccccn3)C2)cc1.
What is the InChIKey of 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is VMZYOBZBMFQOPN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-24(2,3)20-11-9-18(10-12-20)23(28)19-7-6-16-26(17-19)22(27)14-13-21-8-4-5-15-25-21/h4-5,8-12,15,19H,6-7,13-14,16-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 42096263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).