propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate

C19H32N2O5 — CID 91736152

IUPACpropyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OCCC)CC2)CC1
InChIInChI=1S/C19H32N2O5/c1-3-13-25-18(23)16-7-9-20(10-8-16)17(22)15-5-11-21(12-6-15)19(24)26-14-4-2/h15-16H,3-14H2,1-2H3
InChIKeyJYODWGFUPUYHIW-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.44
Rot. Bonds6

About propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate

propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 91736152) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID91736152
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Namepropyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OCCC)CC2)CC1
InChIInChI=1S/C19H32N2O5/c1-3-13-25-18(23)16-7-9-20(10-8-16)17(22)15-5-11-21(12-6-15)19(24)26-14-4-2/h15-16H,3-14H2,1-2H3
InChIKeyJYODWGFUPUYHIW-UHFFFAOYSA-N
XLogP2.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.44
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
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
Ethyl 1-[2-[2-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]sulfanylethylsulfanyl]acetyl]piperidine-4-carboxylate
CID 2999850
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
Isonipecotic acid, N-isobutoxycarbonyl-, ethyl ester
CID 21470003
Piperidine-1,4-dicarboxylic acid diethyl ester
CID 23084679
Isonipecotic acid, n-butoxycarbonyl-, ethyl ester
CID 68328252
Isonipecotic acid, n-butoxycarbonyl-, butyl ester
CID 68735722
Isonipecotic acid, N-ethoxycarbonyl-, butyl ester
CID 91728455

Frequently Asked Questions

What is the IUPAC name of propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate (CID 91736152) is propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate is CCCOC(=O)C1CCN(C(=O)C2CCN(C(=O)OCCC)CC2)CC1.
What is the InChIKey of propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is JYODWGFUPUYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-3-13-25-18(23)16-7-9-20(10-8-16)17(22)15-5-11-21(12-6-15)19(24)26-14-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate?
propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(1-propoxycarbonylpiperidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91736152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).