(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

C16H31N3O5S — CID 92686965

IUPAC(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H31N3O5S/c1-14(2)24-10-4-6-17-16(20)15-5-3-7-19(13-15)25(21,22)18-8-11-23-12-9-18/h14-15H,3-13H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyXBTVMIMVVHPVRC-OAHLLOKOSA-N
MW377.51 g/mol
LogP0.21
Rot. Bonds8

About (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide

(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 92686965) has the molecular formula C16H31N3O5S and a molecular weight of 377.51 g/mol. Its IUPAC name is (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID92686965
Molecular FormulaC16H31N3O5S
Molecular Weight377.51 g/mol
Exact Mass377.20
IUPAC Name(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H31N3O5S/c1-14(2)24-10-4-6-17-16(20)15-5-3-7-19(13-15)25(21,22)18-8-11-23-12-9-18/h14-15H,3-13H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyXBTVMIMVVHPVRC-OAHLLOKOSA-N
XLogP0.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 50.21
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

N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686982
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 46273860
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
(3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92687076
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687078
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539

Frequently Asked Questions

What is the IUPAC name of (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 92686965) is (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is XBTVMIMVVHPVRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3O5S/c1-14(2)24-10-4-6-17-16(20)15-5-3-7-19(13-15)25(21,22)18-8-11-23-12-9-18/h14-15H,3-13H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 92686965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).