(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide

C20H21N3O4S — CID 38747759

IUPAC(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc2o1
InChIInChI=1S/C20H21N3O4S/c1-14-21-18-12-16(9-10-19(18)27-14)22-20(24)15-6-5-11-23(13-15)28(25,26)17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyPANCFBRPHKWEBZ-OAHLLOKOSA-N
MW399.47 g/mol
LogP3.18
Rot. Bonds4

About (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide

(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide (PubChem CID 38747759) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
PubChem CID38747759
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc2o1
InChIInChI=1S/C20H21N3O4S/c1-14-21-18-12-16(9-10-19(18)27-14)22-20(24)15-6-5-11-23(13-15)28(25,26)17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyPANCFBRPHKWEBZ-OAHLLOKOSA-N
XLogP3.18
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 24612048
(3S)-N-(3-acetamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 38764457
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
(3S)-1-(benzenesulfonyl)-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-3-carboxamide
CID 100662005
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16828872
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide (CID 38747759) is (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide is Cc1nc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc2o1.
What is the InChIKey of (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
The InChIKey is PANCFBRPHKWEBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-21-18-12-16(9-10-19(18)27-14)22-20(24)15-6-5-11-23(13-15)28(25,26)17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide?
(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 38747759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).