ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate

C19H23F2NO3 — CID 45178212

IUPACethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C19H23F2NO3/c1-2-25-18(24)19(11-14-6-7-15(20)10-16(14)21)8-3-9-22(12-19)17(23)13-4-5-13/h6-7,10,13H,2-5,8-9,11-12H2,1H3
InChIKeyAYQPIKVAOHXISS-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.09
Rot. Bonds5

About ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate

ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 45178212) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
PubChem CID45178212
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Nameethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C19H23F2NO3/c1-2-25-18(24)19(11-14-6-7-15(20)10-16(14)21)8-3-9-22(12-19)17(23)13-4-5-13/h6-7,10,13H,2-5,8-9,11-12H2,1H3
InChIKeyAYQPIKVAOHXISS-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S,4S)-4-(4-ethenylphenyl)-1-methylpiperidine-3-carboxylate
CID 10377864
methyl (3S,4S)-1-methyl-4-(4-prop-2-enylphenyl)piperidine-3-carboxylate
CID 10802241
Ethyl 1-(methoxyacetyl)-3-(2-methylbenzyl)-3-piperidinecarboxylate
CID 23723456
methyl 3,4-cis-N-methyl-4-phenylpiperidine-3-carboxylate
CID 42145
Ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 2905874
Ethyl 1-(3-phenylbutanoyl)-3-piperidinecarboxylate
CID 2914344
Ethyl 1-[(4-methylphenyl)acetyl]-3-piperidinecarboxylate
CID 2940373
Ethyl 1-(cyclopropylmethyl)-4-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 16189051
Ethyl 1-(3-methoxypropanoyl)-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16190376
4-(4-Ethyl-phenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
CID 44273284
(S)-1-Methyl-4-phenyl-piperidine-3-carboxylic acid methyl ester
CID 44301889
Ethyl 1-(cyclopropylmethyl)-4-(3-fluorobenzyl)-4-piperidinecarboxylate
CID 16187338

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate (CID 45178212) is ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CC2)C1.
What is the InChIKey of ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is AYQPIKVAOHXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO3/c1-2-25-18(24)19(11-14-6-7-15(20)10-16(14)21)8-3-9-22(12-19)17(23)13-4-5-13/h6-7,10,13H,2-5,8-9,11-12H2,1H3.
What are the key properties of ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 351.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropanecarbonyl)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 45178212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).