tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate

C19H29N3O4 — CID 71145360

IUPACtert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cocc1N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)20-15-12-25-13-16(15)21-10-7-14(8-11-21)22-9-5-4-6-17(22)23/h12-14H,4-11H2,1-3H3,(H,20,24)
InChIKeyQFWMGXZCEOFMQP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate

tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate (PubChem CID 71145360) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
PubChem CID71145360
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cocc1N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)20-15-12-25-13-16(15)21-10-7-14(8-11-21)22-9-5-4-6-17(22)23/h12-14H,4-11H2,1-3H3,(H,20,24)
InChIKeyQFWMGXZCEOFMQP-UHFFFAOYSA-N
XLogP3.61
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-(furan-3-ylamino)piperidine-1-carboxylate
CID 163213111
1'-Acetylspiro[1,4-dihydrofuro[3,4-b]pyrazine-3,4'-piperidine]-2-one
CID 82375678
2-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376829
2-(piperidin-1-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376830
2-(morpholin-4-ylmethyl)-2,4-dihydro-1H-furo[3,4-b]pyrazin-3-one
CID 82376831
3-(Piperidin-1-ylmethyl)-1,2,3,4-tetrahydrofuro[3,4-b]pyrazine
CID 82377054
1-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-furo[3,4-b]pyrazine
CID 82377190
1-(3-pentan-3-yl-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl)ethanone
CID 82377256
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone
CID 82377259
1-[3-(2-methylpropyl)-2,3-dihydro-1H-furo[3,4-b]pyrazin-4-yl]ethanone
CID 82392173
1-[(3R)-3-(2-methylpropyl)-3,4-dihydro-2H-furo[3,4-b]pyrazin-1-yl]ethanone
CID 82392174

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate (CID 71145360) is tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate is CC(C)(C)OC(=O)Nc1cocc1N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate?
The InChIKey is QFWMGXZCEOFMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)20-15-12-25-13-16(15)21-10-7-14(8-11-21)22-9-5-4-6-17(22)23/h12-14H,4-11H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate?
tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]furan-3-yl]carbamate is sourced from PubChem (CID 71145360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).