3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide

C12H18N2O3 — CID 56553598

IUPAC3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC(C2OCCO2)C1
InChIInChI=1S/C12H18N2O3/c1-2-5-13-12(15)14-6-3-4-10(9-14)11-16-7-8-17-11/h1,10-11H,3-9H2,(H,13,15)
InChIKeyBDUIXFHZRNLXHB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.41
Rot. Bonds2

About 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide

3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide (PubChem CID 56553598) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
PubChem CID56553598
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
SMILESC#CCNC(=O)N1CCCC(C2OCCO2)C1
InChIInChI=1S/C12H18N2O3/c1-2-5-13-12(15)14-6-3-4-10(9-14)11-16-7-8-17-11/h1,10-11H,3-9H2,(H,13,15)
InChIKeyBDUIXFHZRNLXHB-UHFFFAOYSA-N
XLogP0.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
CID 95270427
3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
CID 56505796
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 95270738
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
1-(cyclopentylmethyl)-3-[2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]urea
CID 56547814
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
(1-benzoylpiperidin-4-yl)-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 136528149
[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 95269832
3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide
CID 131036123

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide (CID 56553598) is 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide is C#CCNC(=O)N1CCCC(C2OCCO2)C1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide?
The InChIKey is BDUIXFHZRNLXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-5-13-12(15)14-6-3-4-10(9-14)11-16-7-8-17-11/h1,10-11H,3-9H2,(H,13,15).
What are the key properties of 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide?
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide is sourced from PubChem (CID 56553598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).