tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate

C19H35N3O3 — CID 59780681

IUPACtert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C19H35N3O3/c1-5-22(16-6-10-20-11-7-16)17(23)14-15-8-12-21(13-9-15)18(24)25-19(2,3)4/h15-16,20H,5-14H2,1-4H3
InChIKeyBBUJFGKEQWFLOH-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 59780681) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID59780681
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C19H35N3O3/c1-5-22(16-6-10-20-11-7-16)17(23)14-15-8-12-21(13-9-15)18(24)25-19(2,3)4/h15-16,20H,5-14H2,1-4H3
InChIKeyBBUJFGKEQWFLOH-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2-oxopentyl)piperidine-1-carboxylate;1-piperidin-4-ylpentan-2-one;hydrochloride
CID 163426470
acetylene;tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]piperidine-1-carboxylate
CID 91021061
tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52775607
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
CID 77143621
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55591816
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;N-methylpiperidin-4-amine
CID 67744598
tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 4-(2-ethoxycarbonylprop-2-enyl)piperidine-1-carboxylate
CID 154612879

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate (CID 59780681) is tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate is CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1.
What is the InChIKey of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is BBUJFGKEQWFLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-5-22(16-6-10-20-11-7-16)17(23)14-15-8-12-21(13-9-15)18(24)25-19(2,3)4/h15-16,20H,5-14H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 59780681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).