tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate

C20H31N3O3 — CID 66921345

IUPACtert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCNCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-14(2)15-6-8-16(9-7-15)22-17(24)20(10-12-21-13-11-20)23-18(25)26-19(3,4)5/h6-9,14,21H,10-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyYBNIJGUCXIAFKC-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate

tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate (PubChem CID 66921345) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
PubChem CID66921345
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCNCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-14(2)15-6-8-16(9-7-15)22-17(24)20(10-12-21-13-11-20)23-18(25)26-19(3,4)5/h6-9,14,21H,10-13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyYBNIJGUCXIAFKC-UHFFFAOYSA-N
XLogP3.40
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 86716672
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
ethyl (E)-3-[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoate
CID 58826723
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]-4-[2-(4-propan-2-ylphenyl)acetyl]piperidin-4-yl]carbamate
CID 58129383
tert-butyl N-[1-[(4-chloroanilino)carbamoyl]cyclopropyl]carbamate
CID 170945244
tert-butyl N-[1-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]-4-oxocyclohexyl]carbamate
CID 58292041
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
(2E)-2-[[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutanecarbonyl]amino]phenyl]methylidene]butanoic acid
CID 66795276
bis(methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate);oxalate
CID 126961471
tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate
CID 70294522
tert-butyl N-[[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]carbamate
CID 4566860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate (CID 66921345) is tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate is CC(C)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCNCC2)cc1.
What is the InChIKey of tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
The InChIKey is YBNIJGUCXIAFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)15-6-8-16(9-7-15)22-17(24)20(10-12-21-13-11-20)23-18(25)26-19(3,4)5/h6-9,14,21H,10-13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate?
tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 66921345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).