[3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone

C25H32N2O2 — CID 12802927

IUPAC[3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone
SMILESCC(c1cccc(C(=O)c2ccccc2)c1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C25H32N2O2/c1-20(27-12-6-7-21(19-27)18-26-13-15-29-16-14-26)23-10-5-11-24(17-23)25(28)22-8-3-2-4-9-22/h2-5,8-11,17,20-21H,6-7,12-16,18-19H2,1H3
InChIKeyRTERMYJFVJEWEO-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.02
Rot. Bonds6

About [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone

[3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone (PubChem CID 12802927) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone
PubChem CID12802927
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone
SMILESCC(c1cccc(C(=O)c2ccccc2)c1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C25H32N2O2/c1-20(27-12-6-7-21(19-27)18-26-13-15-29-16-14-26)23-10-5-11-24(17-23)25(28)22-8-3-2-4-9-22/h2-5,8-11,17,20-21H,6-7,12-16,18-19H2,1H3
InChIKeyRTERMYJFVJEWEO-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
2-(3-benzoylphenyl)-N-(cyclohexylmethyl)propanamide
CID 46211146
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124616862
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
(2S)-2-(3-methyl-4-propan-2-ylphenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 95319915
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
CID 66434887
2-[1-[1-(3-nitrophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728507
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897

Frequently Asked Questions

What is the IUPAC name of [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone?
The IUPAC name of [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone (CID 12802927) is [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone?
The canonical SMILES for [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone is CC(c1cccc(C(=O)c2ccccc2)c1)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone?
The InChIKey is RTERMYJFVJEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20(27-12-6-7-21(19-27)18-26-13-15-29-16-14-26)23-10-5-11-24(17-23)25(28)22-8-3-2-4-9-22/h2-5,8-11,17,20-21H,6-7,12-16,18-19H2,1H3.
What are the key properties of [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone?
[3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone has a molecular weight of 392.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 12802927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).