1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

C20H24N4O3 — CID 121108687

IUPAC1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESCOc1ccccc1NC(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C20H24N4O3/c1-27-18-5-3-2-4-17(18)23-20(26)22-14-15-8-12-24(13-9-15)19(25)16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H2,22,23,26)
InChIKeyHCTJUXTTXVIEHJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.76
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (PubChem CID 121108687) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
PubChem CID121108687
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESCOc1ccccc1NC(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C20H24N4O3/c1-27-18-5-3-2-4-17(18)23-20(26)22-14-15-8-12-24(13-9-15)19(25)16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H2,22,23,26)
InChIKeyHCTJUXTTXVIEHJ-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606
N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 71786309
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90521505
N'-(2-cyanophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786297
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
N-(2-methoxyphenyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150975
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (CID 121108687) is 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is COc1ccccc1NC(=O)NCC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The InChIKey is HCTJUXTTXVIEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-5-3-2-4-17(18)23-20(26)22-14-15-8-12-24(13-9-15)19(25)16-6-10-21-11-7-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H2,22,23,26).
What are the key properties of 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 121108687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).