(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one

C20H31NO2 — CID 906626

IUPAC(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)C(C)C)cc1
InChIInChI=1S/C20H31NO2/c1-15(2)19(14-20(22)21-12-6-5-7-13-21)17-8-10-18(11-9-17)23-16(3)4/h8-11,15-16,19H,5-7,12-14H2,1-4H3/t19-/m0/s1
InChIKeyWXLJHPWRAQERJU-IBGZPJMESA-N
MW317.47 g/mol
LogP4.62
Rot. Bonds6

About (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one

(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one (PubChem CID 906626) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
PubChem CID906626
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)C(C)C)cc1
InChIInChI=1S/C20H31NO2/c1-15(2)19(14-20(22)21-12-6-5-7-13-21)17-8-10-18(11-9-17)23-16(3)4/h8-11,15-16,19H,5-7,12-14H2,1-4H3/t19-/m0/s1
InChIKeyWXLJHPWRAQERJU-IBGZPJMESA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110312179
3,3-dimethyl-1-[4-[2-(4-propan-2-yloxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809560
1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
CID 98019320
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111040300
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
The IUPAC name of (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one (CID 906626) is (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one.
What is the SMILES notation for (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
The canonical SMILES for (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one is CC(C)Oc1ccc([C@@H](CC(=O)N2CCCCC2)C(C)C)cc1.
What is the InChIKey of (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
The InChIKey is WXLJHPWRAQERJU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31NO2/c1-15(2)19(14-20(22)21-12-6-5-7-13-21)17-8-10-18(11-9-17)23-16(3)4/h8-11,15-16,19H,5-7,12-14H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one has a molecular weight of 317.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one is sourced from PubChem (CID 906626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).