N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

C21H40N4O3S — CID 46273860

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C21H40N4O3S/c1-2-20-11-4-7-13-23(20)14-9-12-22-21(26)19-10-8-17-25(18-19)29(27,28)24-15-5-3-6-16-24/h19-20H,2-18H2,1H3,(H,22,26)
InChIKeyGASUHEQCZLYEHU-UHFFFAOYSA-N
MW428.64 g/mol
LogP2.20
Rot. Bonds8

About N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 46273860) has the molecular formula C21H40N4O3S and a molecular weight of 428.64 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID46273860
Molecular FormulaC21H40N4O3S
Molecular Weight428.64 g/mol
Exact Mass428.28
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C21H40N4O3S/c1-2-20-11-4-7-13-23(20)14-9-12-22-21(26)19-10-8-17-25(18-19)29(27,28)24-15-5-3-6-16-24/h19-20H,2-18H2,1H3,(H,22,26)
InChIKeyGASUHEQCZLYEHU-UHFFFAOYSA-N
XLogP2.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 124757090
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3446298
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
(3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98477675
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 46276243
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
ethyl 4-[(3S)-3-[2-(azepan-1-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 92696228
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 46273860) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is CCC1CCCCN1CCCNC(=O)C1CCCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is GASUHEQCZLYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O3S/c1-2-20-11-4-7-13-23(20)14-9-12-22-21(26)19-10-8-17-25(18-19)29(27,28)24-15-5-3-6-16-24/h19-20H,2-18H2,1H3,(H,22,26).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 428.64 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46273860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).