1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone

C21H30N2O5S — CID 55687640

IUPAC1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H30N2O5S/c24-20(17-29(26,27)15-5-8-18-6-2-1-3-7-18)23-10-4-9-19(16-23)21(25)22-11-13-28-14-12-22/h1-3,6-7,19H,4-5,8-17H2
InChIKeyDKYZXWDRZGIGEM-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.13
Rot. Bonds7

About 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone

1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone (PubChem CID 55687640) has the molecular formula C21H30N2O5S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone.

Molecular Properties

Compound Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
PubChem CID55687640
Molecular FormulaC21H30N2O5S
Molecular Weight422.55 g/mol
Exact Mass422.19
IUPAC Name1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C21H30N2O5S/c24-20(17-29(26,27)15-5-8-18-6-2-1-3-7-18)23-10-4-9-19(16-23)21(25)22-11-13-28-14-12-22/h1-3,6-7,19H,4-5,8-17H2
InChIKeyDKYZXWDRZGIGEM-UHFFFAOYSA-N
XLogP1.13
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 46770435
[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 119485534
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 119039974
1-[(3S)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 100732905
1-(4-benzylpiperidin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone
CID 55466903
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 47059658
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55689796
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
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-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone?
The IUPAC name of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone (CID 55687640) is 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone.
What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone?
The canonical SMILES for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone is O=C(CS(=O)(=O)CCCc1ccccc1)N1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone?
The InChIKey is DKYZXWDRZGIGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5S/c24-20(17-29(26,27)15-5-8-18-6-2-1-3-7-18)23-10-4-9-19(16-23)21(25)22-11-13-28-14-12-22/h1-3,6-7,19H,4-5,8-17H2.
What are the key properties of 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone?
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone has a molecular weight of 422.55 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone is sourced from PubChem (CID 55687640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).