1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid

C16H28N2O4 — CID 172515768

IUPAC1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)C1CCN(CCN2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C16H28N2O4/c1-2-22-16(21)14-5-9-18(10-6-14)12-11-17-7-3-13(4-8-17)15(19)20/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeySYZQDMMHJSMXHG-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.06
Rot. Bonds6

About 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid

1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 172515768) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID172515768
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCOC(=O)C1CCN(CCN2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C16H28N2O4/c1-2-22-16(21)14-5-9-18(10-6-14)12-11-17-7-3-13(4-8-17)15(19)20/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeySYZQDMMHJSMXHG-UHFFFAOYSA-N
XLogP1.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 4-hydroxycyclohexane-1-carboxylate;4-hydroxycyclohexane-1-carboxylic acid
CID 161494785
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid (CID 172515768) is 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid is CCOC(=O)C1CCN(CCN2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is SYZQDMMHJSMXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-2-22-16(21)14-5-9-18(10-6-14)12-11-17-7-3-13(4-8-17)15(19)20/h13-14H,2-12H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid?
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 172515768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).