ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate

C17H28N2O5 — CID 91734541

IUPACethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C17H28N2O5/c1-3-23-16(21)14-7-9-18(10-8-14)15(20)13-5-11-19(12-6-13)17(22)24-4-2/h13-14H,3-12H2,1-2H3
InChIKeyBKJMCHJNTQNDMP-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.66
Rot. Bonds4

About ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 91734541) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID91734541
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nameethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C17H28N2O5/c1-3-23-16(21)14-7-9-18(10-8-14)15(20)13-5-11-19(12-6-13)17(22)24-4-2/h13-14H,3-12H2,1-2H3
InChIKeyBKJMCHJNTQNDMP-UHFFFAOYSA-N
XLogP1.66
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
1-Boc-4-(morpholine-4-carbonyl)piperidine
CID 3238778
Ethyl 1-{[1-(pyrrolidin-1-ylsulfonyl)piperidin-4-yl]carbonyl}piperidine-4-carboxylate
CID 3245402
Ethyl 1-{2-[4-(ethoxycarbonyl)piperidyl]-2-oxoacetyl}piperidine-4-carboxylate
CID 3620478
Methyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 652792
Ethyl 1-(morpholine-4-carbonyl)piperidine-4-carboxylate
CID 669644
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 656194
Tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 5017254
Isonipecotic acid, N-isobutoxycarbonyl-, ethyl ester
CID 21470003

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate (CID 91734541) is ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is BKJMCHJNTQNDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-3-23-16(21)14-7-9-18(10-8-14)15(20)13-5-11-19(12-6-13)17(22)24-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91734541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).