1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea

C20H26N4O2 — CID 121108845

IUPAC1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-19-4-2-16(3-5-19)14-22-20(25)23-15-17-8-12-24(13-9-17)18-6-10-21-11-7-18/h2-7,10-11,17H,8-9,12-15H2,1H3,(H2,22,23,25)
InChIKeyWTTISPBMGHUDLK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea

1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea (PubChem CID 121108845) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
PubChem CID121108845
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-19-4-2-16(3-5-19)14-22-20(25)23-15-17-8-12-24(13-9-17)18-6-10-21-11-7-18/h2-7,10-11,17H,8-9,12-15H2,1H3,(H2,22,23,25)
InChIKeyWTTISPBMGHUDLK-UHFFFAOYSA-N
XLogP2.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
1-[(4-methoxyphenyl)methyl]-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 131703048
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 121110119
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea (CID 121108845) is 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea is COc1ccc(CNC(=O)NCC2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
The InChIKey is WTTISPBMGHUDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-19-4-2-16(3-5-19)14-22-20(25)23-15-17-8-12-24(13-9-17)18-6-10-21-11-7-18/h2-7,10-11,17H,8-9,12-15H2,1H3,(H2,22,23,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea has a molecular weight of 354.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 121108845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).