tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate

C17H32N4O3 — CID 141358869

IUPACtert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate
SMILESCN1CCN(CC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)18-14-5-7-21(8-6-14)15(22)13-20-11-9-19(4)10-12-20/h14H,5-13H2,1-4H3,(H,18,23)
InChIKeyFLJQSIDHDCIOOB-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.75
Rot. Bonds3

About tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate (PubChem CID 141358869) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate
PubChem CID141358869
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Nametert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate
SMILESCN1CCN(CC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)18-14-5-7-21(8-6-14)15(22)13-20-11-9-19(4)10-12-20/h14H,5-13H2,1-4H3,(H,18,23)
InChIKeyFLJQSIDHDCIOOB-UHFFFAOYSA-N
XLogP0.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-oxo-4-(piperidin-3-yl)piperazine-1-carboxylate
CID 75458691
tert-Butyl 4-(piperidin-4-yl)piperazine-1-carboxylate
CID 17750356
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate--hydrogen chloride (1/1)
CID 17750357
tert-Butyl 4-(piperazin-1-yl)piperidine-1-carboxylate
CID 17750358
Tert-butyl 3-oxo-4-(piperidin-4-yl)piperazine-1-carboxylate
CID 23138143
tert-butyl N-(2-(4-aminopiperidin-1-yl)-2-oxoethyl)carbamate
CID 50986488
tert-butyl (2R)-2-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 52493547
tert-butyl N-[1-(piperidin-4-yl)piperidin-4-yl]carbamate
CID 53415234
Tert-butyl 4-(piperidin-3-yl)piperazine-1-carboxylate
CID 54593612
N-(4-Piperidinyl)-2-(Boc-amino)acetamide
CID 69163615
tert-Butyl 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 118798342
Tert-butyl 4-[methyl(piperidin-4-yl)amino]piperidine-1-carboxylate
CID 156292820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate (CID 141358869) is tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate is CN1CCN(CC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate?
The InChIKey is FLJQSIDHDCIOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-17(2,3)24-16(23)18-14-5-7-21(8-6-14)15(22)13-20-11-9-19(4)10-12-20/h14H,5-13H2,1-4H3,(H,18,23).
What are the key properties of tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate has a molecular weight of 340.47 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 141358869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).