(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C15H29N3O4S — CID 92696521

IUPAC(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-2-23(20,21)18-8-3-5-14(13-18)15(19)16-6-4-7-17-9-11-22-12-10-17/h14H,2-13H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyWPRISDOMGWJJCS-CQSZACIVSA-N
MW347.48 g/mol
LogP-0.11
Rot. Bonds7

About (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 92696521) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID92696521
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-2-23(20,21)18-8-3-5-14(13-18)15(19)16-6-4-7-17-9-11-22-12-10-17/h14H,2-13H2,1H3,(H,16,19)/t14-/m1/s1
InChIKeyWPRISDOMGWJJCS-CQSZACIVSA-N
XLogP-0.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92641834
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
(3S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 124757090
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686982
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 92696521) is (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1.
What is the InChIKey of (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is WPRISDOMGWJJCS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-2-23(20,21)18-8-3-5-14(13-18)15(19)16-6-4-7-17-9-11-22-12-10-17/h14H,2-13H2,1H3,(H,16,19)/t14-/m1/s1.
What are the key properties of (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 92696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).