tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate

C14H27N3O3 — CID 66566265

IUPACtert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate
SMILESC[C@H](N)C(=O)N1CCCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-10(15)12(18)17-8-6-7-11(9-17)16(5)13(19)20-14(2,3)4/h10-11H,6-9,15H2,1-5H3/t10-,11?/m0/s1
InChIKeyDHLNMATUWBDFFP-VUWPPUDQSA-N
MW285.39 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate (PubChem CID 66566265) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate
PubChem CID66566265
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate
SMILESC[C@H](N)C(=O)N1CCCC(N(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-10(15)12(18)17-8-6-7-11(9-17)16(5)13(19)20-14(2,3)4/h10-11H,6-9,15H2,1-5H3/t10-,11?/m0/s1
InChIKeyDHLNMATUWBDFFP-VUWPPUDQSA-N
XLogP1.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-BOC-3-Aminopiperidine
CID 545809
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
(R)-1-Boc-3-methylpiperazine
CID 2756811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate (CID 66566265) is tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate is C[C@H](N)C(=O)N1CCCC(N(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate?
The InChIKey is DHLNMATUWBDFFP-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(15)12(18)17-8-6-7-11(9-17)16(5)13(19)20-14(2,3)4/h10-11H,6-9,15H2,1-5H3/t10-,11?/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate has a molecular weight of 285.39 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 66566265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).