propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate

C17H34N4O2 — CID 134515019

IUPACpropan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
SMILESCCN1CCN(CC2(NC(=O)OC(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-5-20-10-12-21(13-11-20)14-17(6-8-19(4)9-7-17)18-16(22)23-15(2)3/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyJBOLNWSRHJGPLG-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.22
Rot. Bonds5

About propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate

propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate (PubChem CID 134515019) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
PubChem CID134515019
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Namepropan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
SMILESCCN1CCN(CC2(NC(=O)OC(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O2/c1-5-20-10-12-21(13-11-20)14-17(6-8-19(4)9-7-17)18-16(22)23-15(2)3/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyJBOLNWSRHJGPLG-UHFFFAOYSA-N
XLogP1.22
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-amino-4-methylpiperidine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 161303825
Ditert-butyl 2-methyl-1,4,9-triazaspiro[5.5]undecane-4,9-dicarboxylate
CID 134851747
1-{[1-(tert-Butoxycarbonyl)-4-ethoxycarbonylamino-4-piperidinyl]methyl}-2-piperazinone
CID 21948286
ethyl 4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]-1-piperidyl]-4-methyl-piperidine-1-carboxylate
CID 44541147
Tert-butyl 4-(aminomethyl)-4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 57989599
{1-[2-(4-Methyl-piperidin-1-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841138
Propan-2-yl 4-[4-(cyclohexylamino)piperidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 71025449
4-[[4-(Ethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylic acid
CID 91052807
Butyl 4-methyl-4-(3-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 91216865
Tert-butyl 4-[(4-amino-1-methylpiperidin-4-yl)methyl]-3-methylpiperazine-1-carboxylate
CID 134434441
ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate
CID 134435020
Tert-butyl 4-[[1-methyl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134435022

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate (CID 134515019) is propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate is CCN1CCN(CC2(NC(=O)OC(C)C)CCN(C)CC2)CC1.
What is the InChIKey of propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The InChIKey is JBOLNWSRHJGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-5-20-10-12-21(13-11-20)14-17(6-8-19(4)9-7-17)18-16(22)23-15(2)3/h15H,5-14H2,1-4H3,(H,18,22).
What are the key properties of propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate has a molecular weight of 326.49 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134515019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).