1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea

C20H32N4O2 — CID 132965666

IUPAC1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea
SMILESCN1CCN(Cc2ccc(CNC(=O)NCC3CCCOC3)cc2)CC1
InChIInChI=1S/C20H32N4O2/c1-23-8-10-24(11-9-23)15-18-6-4-17(5-7-18)13-21-20(25)22-14-19-3-2-12-26-16-19/h4-7,19H,2-3,8-16H2,1H3,(H2,21,22,25)
InChIKeyLLUTYQUVIHIYPK-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.66
Rot. Bonds6

About 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea

1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea (PubChem CID 132965666) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea
PubChem CID132965666
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea
SMILESCN1CCN(Cc2ccc(CNC(=O)NCC3CCCOC3)cc2)CC1
InChIInChI=1S/C20H32N4O2/c1-23-8-10-24(11-9-23)15-18-6-4-17(5-7-18)13-21-20(25)22-14-19-3-2-12-26-16-19/h4-7,19H,2-3,8-16H2,1H3,(H2,21,22,25)
InChIKeyLLUTYQUVIHIYPK-UHFFFAOYSA-N
XLogP1.66
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
1-[[(3S)-oxolan-3-yl]methyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94181232
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 91768649
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 97314358

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea?
The IUPAC name of 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea (CID 132965666) is 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea?
The canonical SMILES for 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea is CN1CCN(Cc2ccc(CNC(=O)NCC3CCCOC3)cc2)CC1.
What is the InChIKey of 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea?
The InChIKey is LLUTYQUVIHIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-23-8-10-24(11-9-23)15-18-6-4-17(5-7-18)13-21-20(25)22-14-19-3-2-12-26-16-19/h4-7,19H,2-3,8-16H2,1H3,(H2,21,22,25).
What are the key properties of 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea?
1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea has a molecular weight of 360.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 132965666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).