(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

C16H30N2O3 — CID 97350912

IUPAC(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CCNC(=O)N1CCC[C@H](C2(C)OCCO2)C1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)7-8-17-14(19)18-9-5-6-13(12-18)16(4)20-10-11-21-16/h13H,5-12H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyXFQWXCUJCCHJGF-ZDUSSCGKSA-N
MW298.43 g/mol
LogP2.61
Rot. Bonds3

About (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 97350912) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID97350912
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CCNC(=O)N1CCC[C@H](C2(C)OCCO2)C1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)7-8-17-14(19)18-9-5-6-13(12-18)16(4)20-10-11-21-16/h13H,5-12H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyXFQWXCUJCCHJGF-ZDUSSCGKSA-N
XLogP2.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75477048
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 124616109
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
CID 99854051
(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351555
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperidine-1-carboxamide
CID 98878165
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518
(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99854160
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
CID 75454694
(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351101

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 97350912) is (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is CC(C)(C)CCNC(=O)N1CCC[C@H](C2(C)OCCO2)C1.
What is the InChIKey of (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is XFQWXCUJCCHJGF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)7-8-17-14(19)18-9-5-6-13(12-18)16(4)20-10-11-21-16/h13H,5-12H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97350912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).