N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C15H29N3O3S — CID 3283449

IUPACN-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-2-3-9-16-15(19)14-7-12-18(13-8-14)22(20,21)17-10-5-4-6-11-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyVFGBAPAYKKVVKZ-UHFFFAOYSA-N
MW331.48 g/mol
LogP1.35
Rot. Bonds6

About N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3283449) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3283449
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H29N3O3S/c1-2-3-9-16-15(19)14-7-12-18(13-8-14)22(20,21)17-10-5-4-6-11-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyVFGBAPAYKKVVKZ-UHFFFAOYSA-N
XLogP1.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 51.35
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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 60568206
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-butyl-1-(3-chloro-2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 63665688

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3283449) is N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VFGBAPAYKKVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-2-3-9-16-15(19)14-7-12-18(13-8-14)22(20,21)17-10-5-4-6-11-17/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 331.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3283449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).