ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate

C17H23NO4 — CID 782348

IUPACethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C17H23NO4/c1-3-22-17(20)15-8-10-18(11-9-15)12-13-4-6-14(7-5-13)16(19)21-2/h4-7,15H,3,8-12H2,1-2H3
InChIKeySCDILUAZXZHHAK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.25
Rot. Bonds5

About ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate (PubChem CID 782348) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate
PubChem CID782348
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C17H23NO4/c1-3-22-17(20)15-8-10-18(11-9-15)12-13-4-6-14(7-5-13)16(19)21-2/h4-7,15H,3,8-12H2,1-2H3
InChIKeySCDILUAZXZHHAK-UHFFFAOYSA-N
XLogP2.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Benzoic acid 1-isopropyl-2,5-dimethyl-piperidin-4-yl ester
CID 586831
3-((S)-1-Propyl-piperidin-3-yl)-benzoic acid methyl ester
CID 10355305
Methyl 4-(piperidin-1-ylmethyl)benzoate
CID 782306
4-Piperidinol, 1-methyl-, benzoate, hydrochloride
CID 218206
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
CID 756589
4-[4-(Benzyloxy)piperidino]butyl benzoate
CID 9969234
Ethyl 4-(aminomethyl)benzoate
CID 436161
1,3-Dimethyl-4-piperidinyl benzoate hydrochloride
CID 2827004
1-Morpholin-4-ylpropan-2-yl 4-methylbenzoate;hydrochloride
CID 2928210
1-Methylpiperidin-3-yl 4-(tert-butyl)benzoate hydrochloride
CID 2930003

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate (CID 782348) is ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is SCDILUAZXZHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-22-17(20)15-8-10-18(11-9-15)12-13-4-6-14(7-5-13)16(19)21-2/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxycarbonylphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 782348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).