(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide

C12H20N2O — CID 89352310

IUPAC(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
SMILESC=CC1CCNC(C(=O)NC)[C@@H]1/C=C\C
InChIInChI=1S/C12H20N2O/c1-4-6-10-9(5-2)7-8-14-11(10)12(15)13-3/h4-6,9-11,14H,2,7-8H2,1,3H3,(H,13,15)/b6-4-/t9?,10-,11?/m1/s1
InChIKeyNNMWHDPTMLUWGN-PLTODJMCSA-N
MW208.30 g/mol
LogP1.09
Rot. Bonds3

About (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide

(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide (PubChem CID 89352310) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
PubChem CID89352310
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
SMILESC=CC1CCNC(C(=O)NC)[C@@H]1/C=C\C
InChIInChI=1S/C12H20N2O/c1-4-6-10-9(5-2)7-8-14-11(10)12(15)13-3/h4-6,9-11,14H,2,7-8H2,1,3H3,(H,13,15)/b6-4-/t9?,10-,11?/m1/s1
InChIKeyNNMWHDPTMLUWGN-PLTODJMCSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
CID 90333869
1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide
CID 91560293
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
CID 96740616
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 125520738
N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
CID 90791148
(1s,2s)-2-Methylpiperidinyl-3-cyclohexen-1-carboxamide
CID 129852257
2-Cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 60997470
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopent-2-en-1-ylacetamide
CID 18153592
N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 42920140
4-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-3-methylpiperazin-2-one
CID 60234015

Frequently Asked Questions

What is the IUPAC name of (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
The IUPAC name of (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide (CID 89352310) is (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide.
What is the SMILES notation for (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
The canonical SMILES for (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide is C=CC1CCNC(C(=O)NC)[C@@H]1/C=C\C.
What is the InChIKey of (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
The InChIKey is NNMWHDPTMLUWGN-PLTODJMCSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-10-9(5-2)7-8-14-11(10)12(15)13-3/h4-6,9-11,14H,2,7-8H2,1,3H3,(H,13,15)/b6-4-/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
(3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethenyl-N-methyl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide is sourced from PubChem (CID 89352310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).