1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea

C21H33N3O3 — CID 3242912

IUPAC1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea
SMILESCCOCCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C21H33N3O3/c1-4-18-7-9-19(10-8-18)22-21(26)24(13-6-16-27-5-2)20-11-14-23(15-12-20)17(3)25/h7-10,20H,4-6,11-16H2,1-3H3,(H,22,26)
InChIKeyASIKEOQZWDPPKH-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.52
Rot. Bonds8

About 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea

1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea (PubChem CID 3242912) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea
PubChem CID3242912
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea
SMILESCCOCCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C21H33N3O3/c1-4-18-7-9-19(10-8-18)22-21(26)24(13-6-16-27-5-2)20-11-14-23(15-12-20)17(3)25/h7-10,20H,4-6,11-16H2,1-3H3,(H,22,26)
InChIKeyASIKEOQZWDPPKH-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 49782798
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CID 669753
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CID 24899522
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CID 45889074
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CID 49780161
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CID 49783427
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CID 56971637
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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea (CID 3242912) is 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea is CCOCCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea?
The InChIKey is ASIKEOQZWDPPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-18-7-9-19(10-8-18)22-21(26)24(13-6-16-27-5-2)20-11-14-23(15-12-20)17(3)25/h7-10,20H,4-6,11-16H2,1-3H3,(H,22,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea?
1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea has a molecular weight of 375.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-1-(3-ethoxypropyl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 3242912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).