1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C19H36N4O3S — CID 3485693

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCC3)C2)C1
InChIInChI=1S/C19H36N4O3S/c1-16-12-17(2)14-23(13-16)27(25,26)22-10-5-6-18(15-22)19(24)20-7-11-21-8-3-4-9-21/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyFYKCYMJFSGMHCB-UHFFFAOYSA-N
MW400.59 g/mol
LogP1.13
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 3485693) has the molecular formula C19H36N4O3S and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID3485693
Molecular FormulaC19H36N4O3S
Molecular Weight400.59 g/mol
Exact Mass400.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCC3)C2)C1
InChIInChI=1S/C19H36N4O3S/c1-16-12-17(2)14-23(13-16)27(25,26)22-10-5-6-18(15-22)19(24)20-7-11-21-8-3-4-9-21/h16-18H,3-15H2,1-2H3,(H,20,24)
InChIKeyFYKCYMJFSGMHCB-UHFFFAOYSA-N
XLogP1.13
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 3485693) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCCN3CCCC3)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is FYKCYMJFSGMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3S/c1-16-12-17(2)14-23(13-16)27(25,26)22-10-5-6-18(15-22)19(24)20-7-11-21-8-3-4-9-21/h16-18H,3-15H2,1-2H3,(H,20,24).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3485693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).