propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate

C17H34N4O2 — CID 134505525

IUPACpropan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1
InChIInChI=1S/C17H34N4O2/c1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20/h14-15,18H,5-13H2,1-4H3,(H,19,22)
InChIKeyLSKGWSDEGRSGJJ-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.27
Rot. Bonds5

About propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate

propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate (PubChem CID 134505525) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
PubChem CID134505525
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Namepropan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1
InChIInChI=1S/C17H34N4O2/c1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20/h14-15,18H,5-13H2,1-4H3,(H,19,22)
InChIKeyLSKGWSDEGRSGJJ-UHFFFAOYSA-N
XLogP1.27
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134505524
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 167536769
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
CID 134505539
methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
CID 54895312
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
CID 114461831
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate (CID 134505525) is propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate is CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1.
What is the InChIKey of propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
The InChIKey is LSKGWSDEGRSGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20/h14-15,18H,5-13H2,1-4H3,(H,19,22).
What are the key properties of propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate has a molecular weight of 326.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134505525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).