[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C18H26N2O2 — CID 25249252

IUPAC[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CN2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-15-3-2-4-16(13-15)14-19-7-5-17(6-8-19)18(21)20-9-11-22-12-10-20/h2-4,13,17H,5-12,14H2,1H3
InChIKeyXRBCCIPTEYOBFX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.07
Rot. Bonds3

About [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 25249252) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID25249252
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(CN2CCC(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-15-3-2-4-16(13-15)14-19-7-5-17(6-8-19)18(21)20-9-11-22-12-10-20/h2-4,13,17H,5-12,14H2,1H3
InChIKeyXRBCCIPTEYOBFX-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35705960
[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 174727884
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 25249252) is [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is Cc1cccc(CN2CCC(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XRBCCIPTEYOBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15-3-2-4-16(13-15)14-19-7-5-17(6-8-19)18(21)20-9-11-22-12-10-20/h2-4,13,17H,5-12,14H2,1H3.
What are the key properties of [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25249252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).