1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one

C21H32N2O2 — CID 95874166

IUPAC1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESC[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H32N2O2/c1-18(22-14-16-25-17-15-22)20-10-12-23(13-11-20)21(24)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3/t18-/m0/s1
InChIKeyLFTKDLXSELEXRX-SFHVURJKSA-N
MW344.50 g/mol
LogP2.97
Rot. Bonds6

About 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one

1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 95874166) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID95874166
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
SMILESC[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H32N2O2/c1-18(22-14-16-25-17-15-22)20-10-12-23(13-11-20)21(24)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3/t18-/m0/s1
InChIKeyLFTKDLXSELEXRX-SFHVURJKSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one with MolForge

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Related Compounds

4-(4-fluorophenyl)-1-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]butan-1-one
CID 96579977
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
CID 99938258
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 90590148
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
isoquinolin-3-yl-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95861198
1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119764304
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
3-(3-fluorophenyl)-1-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 96576957

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one (CID 95874166) is 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one is C[C@@H](C1CCN(C(=O)CCCc2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is LFTKDLXSELEXRX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18(22-14-16-25-17-15-22)20-10-12-23(13-11-20)21(24)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20H,5,8-17H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one?
1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 95874166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).