3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide

C16H25N3O3 — CID 75520585

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
SMILESCC1(C2CCCN(C(=O)NCCn3cccc3)C2)OCCO1
InChIInChI=1S/C16H25N3O3/c1-16(21-11-12-22-16)14-5-4-9-19(13-14)15(20)17-6-10-18-7-2-3-8-18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,17,20)
InChIKeyVUKATZVPNQPLEQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.67
Rot. Bonds4

About 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide

3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 75520585) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
PubChem CID75520585
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
SMILESCC1(C2CCCN(C(=O)NCCn3cccc3)C2)OCCO1
InChIInChI=1S/C16H25N3O3/c1-16(21-11-12-22-16)14-5-4-9-19(13-14)15(20)17-6-10-18-7-2-3-8-18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,17,20)
InChIKeyVUKATZVPNQPLEQ-UHFFFAOYSA-N
XLogP1.67
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97350912
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97350793
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-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 124616109
N-(2-pyrrol-1-ylethyl)azocane-1-carboxamide
CID 122566086
(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-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
CID 99854051
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
CID 75454694
(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
2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
CID 128992954
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide (CID 75520585) is 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide is CC1(C2CCCN(C(=O)NCCn3cccc3)C2)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is VUKATZVPNQPLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(21-11-12-22-16)14-5-4-9-19(13-14)15(20)17-6-10-18-7-2-3-8-18/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,17,20).
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide?
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75520585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).