tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate

C16H30N4O3 — CID 107244203

IUPACtert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CNC2CCCNC2)CC1
InChIInChI=1S/C16H30N4O3/c1-16(2,3)23-15(22)20-9-7-19(8-10-20)14(21)12-18-13-5-4-6-17-11-13/h13,17-18H,4-12H2,1-3H3
InChIKeyWEWAFRNAIFJAMQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.41
Rot. Bonds3

About tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate

tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate (PubChem CID 107244203) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate
PubChem CID107244203
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CNC2CCCNC2)CC1
InChIInChI=1S/C16H30N4O3/c1-16(2,3)23-15(22)20-9-7-19(8-10-20)14(21)12-18-13-5-4-6-17-11-13/h13,17-18H,4-12H2,1-3H3
InChIKeyWEWAFRNAIFJAMQ-UHFFFAOYSA-N
XLogP0.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 3-[2-(piperidin-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249072
tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
CID 103801756
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 3-(piperidin-3-ylamino)azepane-1-carboxylate
CID 107249352
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 4-[2-[(5-methylthiolan-3-yl)amino]acetyl]piperazine-1-carboxylate
CID 107244189
tert-butyl 4-piperidin-3-yl-1,4-diazepane-1-carboxylate
CID 82564765
bis(tert-butyl 4-(piperidin-3-ylmethyl)piperazine-1-carboxylate);oxalic acid
CID 56773553
tert-butyl 4-[2-(cyclopropanecarbonylamino)acetyl]-1,4-diazepane-1-carboxylate
CID 95752747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate (CID 107244203) is tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CNC2CCCNC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is WEWAFRNAIFJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-16(2,3)23-15(22)20-9-7-19(8-10-20)14(21)12-18-13-5-4-6-17-11-13/h13,17-18H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 107244203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).