1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea

C25H36N4O3 — CID 26534403

IUPAC1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea
SMILESCOc1ccccc1N1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C25H36N4O3/c1-32-22-5-3-2-4-21(22)28-8-10-29(11-9-28)23(30)6-7-26-24(31)27-25-15-18-12-19(16-25)14-20(13-18)17-25/h2-5,18-20H,6-17H2,1H3,(H2,26,27,31)
InChIKeyFUEFJOYLMVYLOP-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.00
Rot. Bonds6

About 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea

1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea (PubChem CID 26534403) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea
PubChem CID26534403
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea
SMILESCOc1ccccc1N1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C25H36N4O3/c1-32-22-5-3-2-4-21(22)28-8-10-29(11-9-28)23(30)6-7-26-24(31)27-25-15-18-12-19(16-25)14-20(13-18)17-25/h2-5,18-20H,6-17H2,1H3,(H2,26,27,31)
InChIKeyFUEFJOYLMVYLOP-UHFFFAOYSA-N
XLogP3.00
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea with MolForge

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Related Compounds

3-(benzylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
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1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
1-[3-(1-adamantylcarbamoylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166668
3-(2,6-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029461
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylbutylamino)propan-1-one
CID 109029444
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylamino)propan-1-one
CID 109015536
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-(2-ethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109029463
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9334371
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 119826574
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
3-(2-methoxy-5-methylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea (CID 26534403) is 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea is COc1ccccc1N1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea?
The InChIKey is FUEFJOYLMVYLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-32-22-5-3-2-4-21(22)28-8-10-29(11-9-28)23(30)6-7-26-24(31)27-25-15-18-12-19(16-25)14-20(13-18)17-25/h2-5,18-20H,6-17H2,1H3,(H2,26,27,31).
What are the key properties of 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea?
1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea has a molecular weight of 440.59 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 26534403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).