(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C18H25N3O5S — CID 41091084

IUPAC(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)NC3CC3)C2)cc1
InChIInChI=1S/C18H25N3O5S/c1-26-15-6-8-16(9-7-15)27(24,25)21-10-2-3-13(12-21)18(23)19-11-17(22)20-14-4-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeySKZALZKDVDWJAG-CYBMUJFWSA-N
MW395.48 g/mol
LogP0.49
Rot. Bonds7

About (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 41091084) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID41091084
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)NC3CC3)C2)cc1
InChIInChI=1S/C18H25N3O5S/c1-26-15-6-8-16(9-7-15)27(24,25)21-10-2-3-13(12-21)18(23)19-11-17(22)20-14-4-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeySKZALZKDVDWJAG-CYBMUJFWSA-N
XLogP0.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
(3S)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 41129511
(3R)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 41129510
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(3R)-1-(4-methoxyphenyl)sulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 9207700
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40919122

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 41091084) is (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC(=O)NC3CC3)C2)cc1.
What is the InChIKey of (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is SKZALZKDVDWJAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-26-15-6-8-16(9-7-15)27(24,25)21-10-2-3-13(12-21)18(23)19-11-17(22)20-14-4-5-14/h6-9,13-14H,2-5,10-12H2,1H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41091084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).