ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate

C15H24N2O3 — CID 108915450

IUPACethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N/C=C(\C)C2CC2)C1
InChIInChI=1S/C15H24N2O3/c1-3-20-14(18)13-5-4-8-17(10-13)15(19)16-9-11(2)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H,16,19)/b11-9+
InChIKeyOTNQMGAIPJXPNC-PKNBQFBNSA-N
MW280.37 g/mol
LogP2.28
Rot. Bonds4

About ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate

ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate (PubChem CID 108915450) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
PubChem CID108915450
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)N/C=C(\C)C2CC2)C1
InChIInChI=1S/C15H24N2O3/c1-3-20-14(18)13-5-4-8-17(10-13)15(19)16-9-11(2)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H,16,19)/b11-9+
InChIKeyOTNQMGAIPJXPNC-PKNBQFBNSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3S)-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate
CID 81344389
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 1-[(E)-2-methylpent-2-enoyl]piperidine-3-carboxylate
CID 43424005
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
ethyl (3S)-1-[(E)-but-2-enoyl]piperidine-3-carboxylate
CID 81344952
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47765772

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate (CID 108915450) is ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)N/C=C(\C)C2CC2)C1.
What is the InChIKey of ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate?
The InChIKey is OTNQMGAIPJXPNC-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-20-14(18)13-5-4-8-17(10-13)15(19)16-9-11(2)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H,16,19)/b11-9+.
What are the key properties of ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate?
ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 108915450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).