N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide

C21H33N3O2 — CID 136553393

IUPACN-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CCc1ccc(NC(=O)N2CCC(C3CCCCO3)CC2)nc1
InChIInChI=1S/C21H33N3O2/c1-16(2)6-7-17-8-9-20(22-15-17)23-21(25)24-12-10-18(11-13-24)19-5-3-4-14-26-19/h8-9,15-16,18-19H,3-7,10-14H2,1-2H3,(H,22,23,25)
InChIKeyYPRHIORHSWUGNG-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.48
Rot. Bonds5

About N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide

N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide (PubChem CID 136553393) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide
PubChem CID136553393
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide
SMILESCC(C)CCc1ccc(NC(=O)N2CCC(C3CCCCO3)CC2)nc1
InChIInChI=1S/C21H33N3O2/c1-16(2)6-7-17-8-9-20(22-15-17)23-21(25)24-12-10-18(11-13-24)19-5-3-4-14-26-19/h8-9,15-16,18-19H,3-7,10-14H2,1-2H3,(H,22,23,25)
InChIKeyYPRHIORHSWUGNG-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622149
N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 138033864
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 167837348
N-[(2R)-4-methylsulfonylbutan-2-yl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619633
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 166244026
N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99830523
2-[(2R)-2-cyclohexylmorpholin-4-yl]-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
CID 164631346
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-[(2S)-oxolan-2-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 124619443
(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide (CID 136553393) is N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide is CC(C)CCc1ccc(NC(=O)N2CCC(C3CCCCO3)CC2)nc1.
What is the InChIKey of N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
The InChIKey is YPRHIORHSWUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16(2)6-7-17-8-9-20(22-15-17)23-21(25)24-12-10-18(11-13-24)19-5-3-4-14-26-19/h8-9,15-16,18-19H,3-7,10-14H2,1-2H3,(H,22,23,25).
What are the key properties of N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide?
N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136553393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).