tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate

C19H34N2O3 — CID 113248734

IUPACtert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCC1NC1CC(O)C1
InChIInChI=1S/C19H34N2O3/c1-19(2,3)24-18(23)21-10-5-4-9-17(21)15-7-6-8-16(15)20-13-11-14(22)12-13/h13-17,20,22H,4-12H2,1-3H3
InChIKeyMQNPEHCYSVARMX-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate

tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate (PubChem CID 113248734) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate
PubChem CID113248734
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Nametert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCC1NC1CC(O)C1
InChIInChI=1S/C19H34N2O3/c1-19(2,3)24-18(23)21-10-5-4-9-17(21)15-7-6-8-16(15)20-13-11-14(22)12-13/h13-17,20,22H,4-12H2,1-3H3
InChIKeyMQNPEHCYSVARMX-UHFFFAOYSA-N
XLogP3.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(ethylamino)cyclopentyl]piperidine-1-carboxylate
CID 79537863
tert-butyl 2-[2-(ethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724492
tert-butyl 2-[2-(propylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724491
tert-butyl 2-[2-(2-aminoethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724497
tert-butyl 2-[2-(2-methylprop-2-enylamino)cyclohexyl]pyrrolidine-1-carboxylate
CID 104940083
tert-butyl 2-[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113341796
tert-butyl 2-[2-(1,3-thiazol-2-ylmethylamino)cyclopentyl]piperidine-1-carboxylate
CID 113248728
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl 2-[2-(heptan-2-ylamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113248518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate (CID 113248734) is tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1CCCC1NC1CC(O)C1.
What is the InChIKey of tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate?
The InChIKey is MQNPEHCYSVARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-19(2,3)24-18(23)21-10-5-4-9-17(21)15-7-6-8-16(15)20-13-11-14(22)12-13/h13-17,20,22H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate has a molecular weight of 338.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(3-hydroxycyclobutyl)amino]cyclopentyl]piperidine-1-carboxylate is sourced from PubChem (CID 113248734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).