3-prop-2-enoxypiperidine-1-carboxamide

C9H16N2O2 — CID 70254738

IUPAC3-prop-2-enoxypiperidine-1-carboxamide
SMILESC=CCOC1CCCN(C(N)=O)C1
InChIInChI=1S/C9H16N2O2/c1-2-6-13-8-4-3-5-11(7-8)9(10)12/h2,8H,1,3-7H2,(H2,10,12)
InChIKeySDFHDUCDUUTCBA-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.73
Rot. Bonds3

About 3-prop-2-enoxypiperidine-1-carboxamide

3-prop-2-enoxypiperidine-1-carboxamide (PubChem CID 70254738) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-prop-2-enoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name3-prop-2-enoxypiperidine-1-carboxamide
PubChem CID70254738
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-prop-2-enoxypiperidine-1-carboxamide
SMILESC=CCOC1CCCN(C(N)=O)C1
InChIInChI=1S/C9H16N2O2/c1-2-6-13-8-4-3-5-11(7-8)9(10)12/h2,8H,1,3-7H2,(H2,10,12)
InChIKeySDFHDUCDUUTCBA-UHFFFAOYSA-N
XLogP0.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 42656385
(1-carbamoylpiperidin-3-yl) carbamate
CID 175095233
N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
(2S)-2-cyclopentyl-2-[[(3R)-3-prop-2-enoxypiperidine-1-carbonyl]amino]acetic acid
CID 135161209
methyl (2S)-2-cyclohexyl-4-oxo-4-(3-prop-2-enoxypiperidin-1-yl)butanoate;sulfane
CID 158258526
(3-bromophenyl)-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 46028692
tert-butyl 3-prop-2-enoxypyrrolidine-1-carboxylate;ethane
CID 145330639
1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42656429
3-methylpiperidine-1-carboxamide
CID 16786142
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
1-[3-(cyclopropylmethoxy)piperidin-1-yl]ethanone;ethane
CID 157038041
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypiperidine-1-carboxamide?
The IUPAC name of 3-prop-2-enoxypiperidine-1-carboxamide (CID 70254738) is 3-prop-2-enoxypiperidine-1-carboxamide.
What is the SMILES notation for 3-prop-2-enoxypiperidine-1-carboxamide?
The canonical SMILES for 3-prop-2-enoxypiperidine-1-carboxamide is C=CCOC1CCCN(C(N)=O)C1.
What is the InChIKey of 3-prop-2-enoxypiperidine-1-carboxamide?
The InChIKey is SDFHDUCDUUTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-6-13-8-4-3-5-11(7-8)9(10)12/h2,8H,1,3-7H2,(H2,10,12).
What are the key properties of 3-prop-2-enoxypiperidine-1-carboxamide?
3-prop-2-enoxypiperidine-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypiperidine-1-carboxamide is sourced from PubChem (CID 70254738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).