2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone

C22H33NO2 — CID 951130

IUPAC2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc([C@@]2(CC(=O)N3CCCCC3)CCO[C@H](C(C)C)C2)cc1
InChIInChI=1S/C22H33NO2/c1-17(2)20-15-22(11-14-25-20,19-9-7-18(3)8-10-19)16-21(24)23-12-5-4-6-13-23/h7-10,17,20H,4-6,11-16H2,1-3H3/t20-,22-/m0/s1
InChIKeyATVIILYCGCSENE-UNMCSNQZSA-N
MW343.51 g/mol
LogP4.47
Rot. Bonds4

About 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone

2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone (PubChem CID 951130) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone
PubChem CID951130
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc([C@@]2(CC(=O)N3CCCCC3)CCO[C@H](C(C)C)C2)cc1
InChIInChI=1S/C22H33NO2/c1-17(2)20-15-22(11-14-25-20,19-9-7-18(3)8-10-19)16-21(24)23-12-5-4-6-13-23/h7-10,17,20H,4-6,11-16H2,1-3H3/t20-,22-/m0/s1
InChIKeyATVIILYCGCSENE-UNMCSNQZSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

dimethyl-[3-[[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]acetyl]amino]propyl]azanium
CID 7094232
4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide
CID 3831515
1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine
CID 6580000
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6578504
2-[(2S,4S)-4-[(2-chlorophenyl)methyl]-2-propan-2-yloxan-4-yl]-1-morpholin-4-ylethanone
CID 41118613
2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7464224
2-[3-(4-methylphenyl)-1-adamantyl]-1-pyrrolidin-1-ylethanone
CID 4627883
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]-1-pyrazol-1-ylethanone
CID 7581199
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone (CID 951130) is 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone is Cc1ccc([C@@]2(CC(=O)N3CCCCC3)CCO[C@H](C(C)C)C2)cc1.
What is the InChIKey of 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone?
The InChIKey is ATVIILYCGCSENE-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H33NO2/c1-17(2)20-15-22(11-14-25-20,19-9-7-18(3)8-10-19)16-21(24)23-12-5-4-6-13-23/h7-10,17,20H,4-6,11-16H2,1-3H3/t20-,22-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone?
2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone has a molecular weight of 343.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 951130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).