1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide

C22H29N3O5S — CID 55780518

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3OC(C)C)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)30-22-18(5-4-12-23-22)15-24-21(26)17-10-13-25(14-11-17)31(27,28)20-8-6-19(29-3)7-9-20/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,24,26)
InChIKeyPBYRUCNMBLOVRV-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.59
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 55780518) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID55780518
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3OC(C)C)CC2)cc1
InChIInChI=1S/C22H29N3O5S/c1-16(2)30-22-18(5-4-12-23-22)15-24-21(26)17-10-13-25(14-11-17)31(27,28)20-8-6-19(29-3)7-9-20/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,24,26)
InChIKeyPBYRUCNMBLOVRV-UHFFFAOYSA-N
XLogP2.59
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55692806
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 94108023
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 55780518) is 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3OC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is PBYRUCNMBLOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16(2)30-22-18(5-4-12-23-22)15-24-21(26)17-10-13-25(14-11-17)31(27,28)20-8-6-19(29-3)7-9-20/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55780518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).