N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C16H28N2O3 — CID 113005644

IUPACN-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-4-9-17(2)15(19)13-7-10-18(11-8-13)16(20)14-6-5-12-21-14/h13-14H,3-12H2,1-2H3
InChIKeyFGMVJHNGIVLISS-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds5

About N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 113005644) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID113005644
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-4-9-17(2)15(19)13-7-10-18(11-8-13)16(20)14-6-5-12-21-14/h13-14H,3-12H2,1-2H3
InChIKeyFGMVJHNGIVLISS-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N,N-dimethyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 110350799
N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide
CID 119738374
N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
CID 102560286
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
4-[[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025052
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 113005644) is N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FGMVJHNGIVLISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-4-9-17(2)15(19)13-7-10-18(11-8-13)16(20)14-6-5-12-21-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).