N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide

C19H24N2O3S — CID 55647051

IUPACN-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C19H24N2O3S/c1-2-13-25(23,24)21-12-6-9-16(14-21)19(22)20-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3,(H,20,22)
InChIKeyYPFGNSBNLOFQHV-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.23
Rot. Bonds5

About N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide

N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55647051) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55647051
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C19H24N2O3S/c1-2-13-25(23,24)21-12-6-9-16(14-21)19(22)20-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3,(H,20,22)
InChIKeyYPFGNSBNLOFQHV-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 92641554
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55798853
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 146337060
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
(3R)-1-ethylsulfonyl-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 95194931
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide (CID 55647051) is N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is YPFGNSBNLOFQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-13-25(23,24)21-12-6-9-16(14-21)19(22)20-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3,(H,20,22).
What are the key properties of N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide?
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55647051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).