(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C23H29N3O5S — CID 97038069

IUPAC(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O5S/c1-17(22(27)24-15-18-7-4-3-5-8-18)25-23(28)19-9-6-14-26(16-19)32(29,30)21-12-10-20(31-2)11-13-21/h3-5,7-8,10-13,17,19H,6,9,14-16H2,1-2H3,(H,24,27)(H,25,28)/t17-,19-/m1/s1
InChIKeyYUDYEIKVJQHWID-IEBWSBKVSA-N
MW459.57 g/mol
LogP1.92
Rot. Bonds8

About (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 97038069) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID97038069
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C23H29N3O5S/c1-17(22(27)24-15-18-7-4-3-5-8-18)25-23(28)19-9-6-14-26(16-19)32(29,30)21-12-10-20(31-2)11-13-21/h3-5,7-8,10-13,17,19H,6,9,14-16H2,1-2H3,(H,24,27)(H,25,28)/t17-,19-/m1/s1
InChIKeyYUDYEIKVJQHWID-IEBWSBKVSA-N
XLogP1.92
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710457
(3S)-N-[(2R)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97263010
(3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40961230
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 73259233
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41009380
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 73401775
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
N-[(4-methoxyphenyl)-phenylmethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414462

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 97038069) is (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YUDYEIKVJQHWID-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17(22(27)24-15-18-7-4-3-5-8-18)25-23(28)19-9-6-14-26(16-19)32(29,30)21-12-10-20(31-2)11-13-21/h3-5,7-8,10-13,17,19H,6,9,14-16H2,1-2H3,(H,24,27)(H,25,28)/t17-,19-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 97038069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).