[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea

C16H23N3O3 — CID 119130031

IUPAC[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
SMILESCCOCC1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C16H23N3O3/c1-2-22-11-12-5-4-8-19(10-12)15(20)13-6-3-7-14(9-13)18-16(17)21/h3,6-7,9,12H,2,4-5,8,10-11H2,1H3,(H3,17,18,21)
InChIKeyYUPLWNKWXFTAIC-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.07
Rot. Bonds5

About [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea

[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea (PubChem CID 119130031) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
PubChem CID119130031
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
SMILESCCOCC1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C16H23N3O3/c1-2-22-11-12-5-4-8-19(10-12)15(20)13-6-3-7-14(9-13)18-16(17)21/h3,6-7,9,12H,2,4-5,8,10-11H2,1H3,(H3,17,18,21)
InChIKeyYUPLWNKWXFTAIC-UHFFFAOYSA-N
XLogP2.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
CID 47184335
3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
3-[(3R)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378592
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]urea
CID 9225541
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 96546479
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95378554

Frequently Asked Questions

What is the IUPAC name of [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea?
The IUPAC name of [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea (CID 119130031) is [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea is CCOCC1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1.
What is the InChIKey of [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea?
The InChIKey is YUPLWNKWXFTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-22-11-12-5-4-8-19(10-12)15(20)13-6-3-7-14(9-13)18-16(17)21/h3,6-7,9,12H,2,4-5,8,10-11H2,1H3,(H3,17,18,21).
What are the key properties of [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea?
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea has a molecular weight of 305.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 119130031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).