tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate

C17H35N3O2 — CID 102730414

IUPACtert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate
SMILESCCCC1CCCCN1C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-6-9-14-10-7-8-11-20(14)15(12-18)13(2)19-16(21)22-17(3,4)5/h13-15H,6-12,18H2,1-5H3,(H,19,21)
InChIKeyOFTUQHPSCRFESV-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.88
Rot. Bonds6

About tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate

tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate (PubChem CID 102730414) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate
PubChem CID102730414
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate
SMILESCCCC1CCCCN1C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-6-9-14-10-7-8-11-20(14)15(12-18)13(2)19-16(21)22-17(3,4)5/h13-15H,6-12,18H2,1-5H3,(H,19,21)
InChIKeyOFTUQHPSCRFESV-UHFFFAOYSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]carbamate
CID 103494649
tert-butyl N-[4-amino-3-(4-propan-2-ylazepan-1-yl)butan-2-yl]carbamate
CID 102730149
tert-butyl N-[4-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-yl]carbamate
CID 102730326
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate
CID 102729910
2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
4-(2-propylpiperidin-1-yl)pentanehydrazide
CID 83056932
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
2-chloro-2-(2-propylpiperidin-1-yl)acetamide
CID 70633548

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate (CID 102730414) is tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate is CCCC1CCCCN1C(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate?
The InChIKey is OFTUQHPSCRFESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-6-9-14-10-7-8-11-20(14)15(12-18)13(2)19-16(21)22-17(3,4)5/h13-15H,6-12,18H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(2-propylpiperidin-1-yl)butan-2-yl]carbamate is sourced from PubChem (CID 102730414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).