[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate

C23H36N4O3 — CID 151988178

IUPAC[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate
SMILESCN1CCN(CC(=O)N2CCC(c3cccc(CC(C)(C)OC(N)=O)c3)CC2)CC1
InChIInChI=1S/C23H36N4O3/c1-23(2,30-22(24)29)16-18-5-4-6-20(15-18)19-7-9-27(10-8-19)21(28)17-26-13-11-25(3)12-14-26/h4-6,15,19H,7-14,16-17H2,1-3H3,(H2,24,29)
InChIKeyUECIPNGOZVIOME-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.06
Rot. Bonds6

About [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate

[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate (PubChem CID 151988178) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate
PubChem CID151988178
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate
SMILESCN1CCN(CC(=O)N2CCC(c3cccc(CC(C)(C)OC(N)=O)c3)CC2)CC1
InChIInChI=1S/C23H36N4O3/c1-23(2,30-22(24)29)16-18-5-4-6-20(15-18)19-7-9-27(10-8-19)21(28)17-26-13-11-25(3)12-14-26/h4-6,15,19H,7-14,16-17H2,1-3H3,(H2,24,29)
InChIKeyUECIPNGOZVIOME-UHFFFAOYSA-N
XLogP2.06
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
tert-butyl 3-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 57368635
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
1-[4-(3-aminophenyl)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68678854
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 23587168
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-[4-[(4-methoxyphenyl)methylamino]piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861378
[2-methyl-1-[(1S,2R)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]propan-2-yl] carbamate
CID 174592824

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate (CID 151988178) is [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate is CN1CCN(CC(=O)N2CCC(c3cccc(CC(C)(C)OC(N)=O)c3)CC2)CC1.
What is the InChIKey of [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate?
The InChIKey is UECIPNGOZVIOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-23(2,30-22(24)29)16-18-5-4-6-20(15-18)19-7-9-27(10-8-19)21(28)17-26-13-11-25(3)12-14-26/h4-6,15,19H,7-14,16-17H2,1-3H3,(H2,24,29).
What are the key properties of [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate?
[2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate has a molecular weight of 416.57 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[3-[1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-4-yl]phenyl]propan-2-yl] carbamate is sourced from PubChem (CID 151988178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).