morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone

C19H28N2O4S — CID 46770435

IUPACmorpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C19H28N2O4S/c22-19(20-11-13-25-14-12-20)18-9-4-10-21(16-18)26(23,24)15-5-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2
InChIKeyHSVUXUOMUXJLRP-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.52
Rot. Bonds6

About morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone

morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone (PubChem CID 46770435) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
PubChem CID46770435
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Namemorpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCOCC1
InChIInChI=1S/C19H28N2O4S/c22-19(20-11-13-25-14-12-20)18-9-4-10-21(16-18)26(23,24)15-5-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2
InChIKeyHSVUXUOMUXJLRP-UHFFFAOYSA-N
XLogP1.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366
1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 92675959
(4-benzylpiperazin-1-yl)-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 28633070
[4-(4-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 99950294
[4-(4-fluorophenyl)piperazin-1-yl]-[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 99950292
ethyl 4-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 99948993
ethyl 4-[(3S)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 99948995
(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55687640
ethyl 1-[(3R)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 28632742
ethyl 1-[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 43885626
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 43910492

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone (CID 46770435) is morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone is O=C(C1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone?
The InChIKey is HSVUXUOMUXJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c22-19(20-11-13-25-14-12-20)18-9-4-10-21(16-18)26(23,24)15-5-8-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2.
What are the key properties of morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone?
morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone has a molecular weight of 380.51 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 46770435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).