ethyl 3-(piperidin-1-ylamino)prop-2-enoate

C10H18N2O2 — CID 70608550

IUPACethyl 3-(piperidin-1-ylamino)prop-2-enoate
SMILESCCOC(=O)C=CNN1CCCCC1
InChIInChI=1S/C10H18N2O2/c1-2-14-10(13)6-7-11-12-8-4-3-5-9-12/h6-7,11H,2-5,8-9H2,1H3
InChIKeyIMFFVXRMKWOJIB-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.05
Rot. Bonds4

About ethyl 3-(piperidin-1-ylamino)prop-2-enoate

ethyl 3-(piperidin-1-ylamino)prop-2-enoate (PubChem CID 70608550) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 3-(piperidin-1-ylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(piperidin-1-ylamino)prop-2-enoate
PubChem CID70608550
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 3-(piperidin-1-ylamino)prop-2-enoate
SMILESCCOC(=O)C=CNN1CCCCC1
InChIInChI=1S/C10H18N2O2/c1-2-14-10(13)6-7-11-12-8-4-3-5-9-12/h6-7,11H,2-5,8-9H2,1H3
InChIKeyIMFFVXRMKWOJIB-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
CID 143226823
ethyl 3-(ethoxyamino)prop-2-enoate;hydrochloride
CID 173062776
ethyl (E)-3-piperidin-1-ylbut-2-enoate
CID 692003
ethyl (E)-4-(2-pyrrolidin-1-ylethylamino)but-2-enoate
CID 80547527
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethyl N-[(Z)-2-cyano-3-(piperidin-1-ylamino)prop-2-enoyl]carbamate
CID 6383430
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl (E)-3-methyl-4-piperidin-1-ylbut-2-enoate
CID 59333090
ethyl 2-methyl-3-(piperidin-1-ylamino)propanoate
CID 83014180

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(piperidin-1-ylamino)prop-2-enoate?
The IUPAC name of ethyl 3-(piperidin-1-ylamino)prop-2-enoate (CID 70608550) is ethyl 3-(piperidin-1-ylamino)prop-2-enoate.
What is the SMILES notation for ethyl 3-(piperidin-1-ylamino)prop-2-enoate?
The canonical SMILES for ethyl 3-(piperidin-1-ylamino)prop-2-enoate is CCOC(=O)C=CNN1CCCCC1.
What is the InChIKey of ethyl 3-(piperidin-1-ylamino)prop-2-enoate?
The InChIKey is IMFFVXRMKWOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-14-10(13)6-7-11-12-8-4-3-5-9-12/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of ethyl 3-(piperidin-1-ylamino)prop-2-enoate?
ethyl 3-(piperidin-1-ylamino)prop-2-enoate has a molecular weight of 198.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(piperidin-1-ylamino)prop-2-enoate is sourced from PubChem (CID 70608550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).