1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride

C19H30ClN3O3S — CID 119535384

IUPAC1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-15-2-4-18(5-3-15)26(24,25)22-12-8-17(9-13-22)19(23)21-11-7-16-6-10-20-14-16;/h2-5,16-17,20H,6-14H2,1H3,(H,21,23);1H
InChIKeyMMZKYBKCASPGHC-UHFFFAOYSA-N
MW415.99 g/mol
LogP1.93
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride

1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119535384) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119535384
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3CCNC3)CC2)cc1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-15-2-4-18(5-3-15)26(24,25)22-12-8-17(9-13-22)19(23)21-11-7-16-6-10-20-14-16;/h2-5,16-17,20H,6-14H2,1H3,(H,21,23);1H
InChIKeyMMZKYBKCASPGHC-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535630
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534976
1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557104
N-(3-hydroxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3152303
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119426293
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 120943334
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
1-[(4-methylphenyl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119535395
1-(4-methylphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 70037679
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride (CID 119535384) is 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3CCNC3)CC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MMZKYBKCASPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-15-2-4-18(5-3-15)26(24,25)22-12-8-17(9-13-22)19(23)21-11-7-16-6-10-20-14-16;/h2-5,16-17,20H,6-14H2,1H3,(H,21,23);1H.
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride?
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119535384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).