(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate

C25H28N4O3 — CID 171824521

IUPAC(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
SMILESCOc1ccc(COC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-23-11-7-21(8-12-23)19-32-25(30)27-22-9-5-20(6-10-22)18-28-14-16-29(17-15-28)24-4-2-3-13-26-24/h2-13H,14-19H2,1H3,(H,27,30)
InChIKeyNNXFJBNNKRRQGR-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.16
Rot. Bonds7

About (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate

(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate (PubChem CID 171824521) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
PubChem CID171824521
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
SMILESCOc1ccc(COC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-31-23-11-7-21(8-12-23)19-32-25(30)27-22-9-5-20(6-10-22)18-28-14-16-29(17-15-28)24-4-2-3-13-26-24/h2-13H,14-19H2,1H3,(H,27,30)
InChIKeyNNXFJBNNKRRQGR-UHFFFAOYSA-N
XLogP4.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824774
(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902638
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
2-fluoro-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850234
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
[4-[[4-(piperidin-1-ylmethyl)benzoyl]amino]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate
CID 11386471
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate (CID 171824521) is (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate is COc1ccc(COC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
The InChIKey is NNXFJBNNKRRQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-23-11-7-21(8-12-23)19-32-25(30)27-22-9-5-20(6-10-22)18-28-14-16-29(17-15-28)24-4-2-3-13-26-24/h2-13H,14-19H2,1H3,(H,27,30).
What are the key properties of (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate?
(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 171824521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).