1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C18H34N4O3S — CID 155901062

IUPAC1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCC3)C2)CC1
InChIInChI=1S/C18H34N4O3S/c1-16-6-12-21(13-7-16)26(24,25)22-11-4-5-17(15-22)18(23)19-8-14-20-9-2-3-10-20/h16-17H,2-15H2,1H3,(H,19,23)
InChIKeyBMJVGZNAYCMXCI-UHFFFAOYSA-N
MW386.56 g/mol
LogP0.89
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 155901062) has the molecular formula C18H34N4O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID155901062
Molecular FormulaC18H34N4O3S
Molecular Weight386.56 g/mol
Exact Mass386.24
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCC3)C2)CC1
InChIInChI=1S/C18H34N4O3S/c1-16-6-12-21(13-7-16)26(24,25)22-11-4-5-17(15-22)18(23)19-8-14-20-9-2-3-10-20/h16-17H,2-15H2,1H3,(H,19,23)
InChIKeyBMJVGZNAYCMXCI-UHFFFAOYSA-N
XLogP0.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245025
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4185001
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 3485693
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 3563959
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3636215
N-[3-(azepan-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3686338
N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4072547
N-butyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4075862
1-[(3,5-Dimethylpiperidin-1-YL)sulfonyl]-N-[3-(pyrrolidin-1-YL)propyl]piperidine-3-carboxamide
CID 4287697
Ethyl 4-({3-[(3-methylbutyl)carbamoyl]piperidin-1-YL}sulfonyl)piperazine-1-carboxylate
CID 4298614
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4340927
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 4445524

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 155901062) is 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCC3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is BMJVGZNAYCMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3S/c1-16-6-12-21(13-7-16)26(24,25)22-11-4-5-17(15-22)18(23)19-8-14-20-9-2-3-10-20/h16-17H,2-15H2,1H3,(H,19,23).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155901062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).