[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone

C22H34N2O — CID 1096649

IUPAC[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
SMILESCC(C)c1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1
InChIInChI=1S/C22H34N2O/c1-17(2)20-8-6-19(7-9-20)16-23-13-10-21(11-14-23)22(25)24-12-4-5-18(3)15-24/h6-9,17-18,21H,4-5,10-16H2,1-3H3/t18-/m0/s1
InChIKeyBBUMEKADZAVSLC-SFHVURJKSA-N
MW342.53 g/mol
LogP4.28
Rot. Bonds4

About [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone

[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 1096649) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
PubChem CID1096649
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
SMILESCC(C)c1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1
InChIInChI=1S/C22H34N2O/c1-17(2)20-8-6-19(7-9-20)16-23-13-10-21(11-14-23)22(25)24-12-4-5-18(3)15-24/h6-9,17-18,21H,4-5,10-16H2,1-3H3/t18-/m0/s1
InChIKeyBBUMEKADZAVSLC-SFHVURJKSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 807320
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 807342
[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541317
[1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 651427
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone (CID 1096649) is [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone is CC(C)c1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is BBUMEKADZAVSLC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H34N2O/c1-17(2)20-8-6-19(7-9-20)16-23-13-10-21(11-14-23)22(25)24-12-4-5-18(3)15-24/h6-9,17-18,21H,4-5,10-16H2,1-3H3/t18-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone?
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 342.53 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 1096649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).