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

C17H33N3O3S — CID 3446298

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H33N3O3S/c1-3-16-9-4-5-11-19(16)12-7-10-18-17(21)15-8-6-13-20(14-15)24(2,22)23/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyGNRAWKAFQIPKTA-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.43
Rot. Bonds7

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

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3446298) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3446298
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCC1CCCCN1CCCNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H33N3O3S/c1-3-16-9-4-5-11-19(16)12-7-10-18-17(21)15-8-6-13-20(14-15)24(2,22)23/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyGNRAWKAFQIPKTA-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.43
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-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 46273860
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 3446298) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide is CCC1CCCCN1CCCNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is GNRAWKAFQIPKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-3-16-9-4-5-11-19(16)12-7-10-18-17(21)15-8-6-13-20(14-15)24(2,22)23/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 1.43, 7 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-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3446298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).