tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate

C20H37N3O3 — CID 51930968

IUPACtert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC1(C)CC(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C20H37N3O3/c1-18(2,3)26-17(25)23-10-8-9-14(13-23)16(24)21-15-11-19(4,5)22-20(6,7)12-15/h14-15,22H,8-13H2,1-7H3,(H,21,24)/t14-/m0/s1
InChIKeyMHXZVZILKXQPDQ-AWEZNQCLSA-N
MW367.53 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 51930968) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID51930968
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Nametert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC1(C)CC(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)N1
InChIInChI=1S/C20H37N3O3/c1-18(2,3)26-17(25)23-10-8-9-14(13-23)16(24)21-15-11-19(4,5)22-20(6,7)12-15/h14-15,22H,8-13H2,1-7H3,(H,21,24)/t14-/m0/s1
InChIKeyMHXZVZILKXQPDQ-AWEZNQCLSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentanecarboxamide
CID 14697374
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl 3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)piperidine-1-carboxylate
CID 55438903
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl (3R)-3-[(4-cycloheptylcyclohexanecarbonyl)amino]pyrrolidine-1-carboxylate
CID 139459619
tert-butyl 3-[(4-methylpiperazin-1-yl)carbamoyl]piperidine-1-carboxylate
CID 84556160
tert-butyl (3S)-3-[(3-ethoxy-1-hydroxycyclobutyl)methylcarbamoyl]piperidine-1-carboxylate
CID 100667750
tert-butyl (3S)-3-(2,2-dicyano-1-methoxyethenyl)piperidine-1-carboxylate
CID 93481128
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate (CID 51930968) is tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate is CC1(C)CC(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(C)(C)N1.
What is the InChIKey of tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is MHXZVZILKXQPDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-18(2,3)26-17(25)23-10-8-9-14(13-23)16(24)21-15-11-19(4,5)22-20(6,7)12-15/h14-15,22H,8-13H2,1-7H3,(H,21,24)/t14-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 367.53 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51930968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).