tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate

C17H33N3O2 — CID 107247337

IUPACtert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NC1CCC(N)C1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-12(19-15-8-7-14(18)10-15)13-6-5-9-20(11-13)16(21)22-17(2,3)4/h12-15,19H,5-11,18H2,1-4H3
InChIKeyQASLWXCRADWPTQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 107247337) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID107247337
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NC1CCC(N)C1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-12(19-15-8-7-14(18)10-15)13-6-5-9-20(11-13)16(21)22-17(2,3)4/h12-15,19H,5-11,18H2,1-4H3
InChIKeyQASLWXCRADWPTQ-UHFFFAOYSA-N
XLogP2.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate
CID 99615275
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate (CID 107247337) is tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate is CC(NC1CCC(N)C1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is QASLWXCRADWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-12(19-15-8-7-14(18)10-15)13-6-5-9-20(11-13)16(21)22-17(2,3)4/h12-15,19H,5-11,18H2,1-4H3.
What are the key properties of tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 107247337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).