tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate

C18H27N3O4 — CID 47065724

IUPACtert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
SMILESCOc1cccc(NC(=O)N2CCCC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14-8-6-10-21(12-14)16(22)19-13-7-5-9-15(11-13)24-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyLEXQHPPZPWBEQG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate (PubChem CID 47065724) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
PubChem CID47065724
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
SMILESCOc1cccc(NC(=O)N2CCCC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14-8-6-10-21(12-14)16(22)19-13-7-5-9-15(11-13)24-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyLEXQHPPZPWBEQG-UHFFFAOYSA-N
XLogP3.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
tert-butyl N-[(3R)-1-[(4-iodophenyl)carbamoyl]piperidin-3-yl]carbamate
CID 165429722
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate (CID 47065724) is tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate is COc1cccc(NC(=O)N2CCCC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate?
The InChIKey is LEXQHPPZPWBEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14-8-6-10-21(12-14)16(22)19-13-7-5-9-15(11-13)24-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 47065724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).