1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide

C15H30N2O3S — CID 174300935

IUPAC1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
SMILESCCCCCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-5-6-7-8-11-16-15(18)14-9-12-17(13-10-14)21(19,20)4-2/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyQQCLZVOXNRBOBS-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.13
Rot. Bonds9

About 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide

1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide (PubChem CID 174300935) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
PubChem CID174300935
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
SMILESCCCCCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-5-6-7-8-11-16-15(18)14-9-12-17(13-10-14)21(19,20)4-2/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyQQCLZVOXNRBOBS-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
CID 3636219
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
2-[2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241575

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide (CID 174300935) is 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide is CCCCCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide?
The InChIKey is QQCLZVOXNRBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-5-6-7-8-11-16-15(18)14-9-12-17(13-10-14)21(19,20)4-2/h14H,3-13H2,1-2H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide?
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide has a molecular weight of 318.48 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide is sourced from PubChem (CID 174300935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).