1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C23H27N3O3S — CID 20876953

IUPAC1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-17-3-5-18(6-4-17)16-24-23(27)19-10-13-26(14-11-19)30(28,29)21-7-8-22-20(15-21)9-12-25(22)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,24,27)
InChIKeyKRBDJSAWRZGCID-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 20876953) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID20876953
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-17-3-5-18(6-4-17)16-24-23(27)19-10-13-26(14-11-19)30(28,29)21-7-8-22-20(15-21)9-12-25(22)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,24,27)
InChIKeyKRBDJSAWRZGCID-UHFFFAOYSA-N
XLogP3.20
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46513159
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-[1-[(4-methylphenyl)methyl]indol-5-yl]sulfonylpiperidine-4-carboxylic acid
CID 53213423
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60532408
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46422068

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 20876953) is 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC2)cc1.
What is the InChIKey of 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KRBDJSAWRZGCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17-3-5-18(6-4-17)16-24-23(27)19-10-13-26(14-11-19)30(28,29)21-7-8-22-20(15-21)9-12-25(22)2/h3-9,12,15,19H,10-11,13-14,16H2,1-2H3,(H,24,27).
What are the key properties of 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20876953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).