1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea

C20H26N4O2 — CID 91624881

IUPAC1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCC1CCN(c2cccnc2)CC1
InChIInChI=1S/C20H26N4O2/c1-2-26-19-8-4-3-7-18(19)23-20(25)22-14-16-9-12-24(13-10-16)17-6-5-11-21-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H2,22,23,25)
InChIKeyZXBWSSOYYALYOV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea

1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea (PubChem CID 91624881) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
PubChem CID91624881
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
SMILESCCOc1ccccc1NC(=O)NCC1CCN(c2cccnc2)CC1
InChIInChI=1S/C20H26N4O2/c1-2-26-19-8-4-3-7-18(19)23-20(25)22-14-16-9-12-24(13-10-16)17-6-5-11-21-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H2,22,23,25)
InChIKeyZXBWSSOYYALYOV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166619185
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-ethoxyphenyl)oxamide
CID 72716890
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
N-(2-ethoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227298
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624812
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea (CID 91624881) is 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea is CCOc1ccccc1NC(=O)NCC1CCN(c2cccnc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
The InChIKey is ZXBWSSOYYALYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-26-19-8-4-3-7-18(19)23-20(25)22-14-16-9-12-24(13-10-16)17-6-5-11-21-15-17/h3-8,11,15-16H,2,9-10,12-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea?
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea has a molecular weight of 354.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 91624881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).