(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide

C19H29N3O4S — CID 95119187

IUPAC(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-21-12-9-18(10-13-21)26-17-7-5-16(6-8-17)20-19(23)15-4-3-11-22(14-15)27(2,24)25/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyOHPPYWYABKBZDI-OAHLLOKOSA-N
MW395.53 g/mol
LogP1.77
Rot. Bonds5

About (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide

(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 95119187) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID95119187
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1
InChIInChI=1S/C19H29N3O4S/c1-21-12-9-18(10-13-21)26-17-7-5-16(6-8-17)20-19(23)15-4-3-11-22(14-15)27(2,24)25/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyOHPPYWYABKBZDI-OAHLLOKOSA-N
XLogP1.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]piperidine-3-carboxamide
CID 100666928
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945290
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945875
(3S)-1-ethylsulfonyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidine-3-carboxamide
CID 95194802
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 50944725
N-[4-(cyanomethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50946331
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 95119187) is (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide is CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1.
What is the InChIKey of (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is OHPPYWYABKBZDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-21-12-9-18(10-13-21)26-17-7-5-16(6-8-17)20-19(23)15-4-3-11-22(14-15)27(2,24)25/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
(3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 95119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).