N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

C18H30N2O3 — CID 75477048

IUPACN-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1(C2CCCN(C(=O)NCC3(C4CC4)CCC3)C2)OCCO1
InChIInChI=1S/C18H30N2O3/c1-17(22-10-11-23-17)15-4-2-9-20(12-15)16(21)19-13-18(7-3-8-18)14-5-6-14/h14-15H,2-13H2,1H3,(H,19,21)
InChIKeyWRIBTFAZSLWLPW-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.75
Rot. Bonds4

About N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 75477048) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID75477048
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1(C2CCCN(C(=O)NCC3(C4CC4)CCC3)C2)OCCO1
InChIInChI=1S/C18H30N2O3/c1-17(22-10-11-23-17)15-4-2-9-20(12-15)16(21)19-13-18(7-3-8-18)14-5-6-14/h14-15H,2-13H2,1H3,(H,19,21)
InChIKeyWRIBTFAZSLWLPW-UHFFFAOYSA-N
XLogP2.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97350912
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
(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
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)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518
(3aS,6aR)-2-[(1-cyclopropylcyclobutyl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007561
(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99854160

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 75477048) is N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is CC1(C2CCCN(C(=O)NCC3(C4CC4)CCC3)C2)OCCO1.
What is the InChIKey of N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is WRIBTFAZSLWLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-17(22-10-11-23-17)15-4-2-9-20(12-15)16(21)19-13-18(7-3-8-18)14-5-6-14/h14-15H,2-13H2,1H3,(H,19,21).
What are the key properties of N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75477048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).