[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea

C15H21N3O2 — CID 47184335

IUPAC[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
SMILESCCC1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C15H21N3O2/c1-2-11-5-4-8-18(10-11)14(19)12-6-3-7-13(9-12)17-15(16)20/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H3,16,17,20)
InChIKeyDHBIKSONZSNNSU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.44
Rot. Bonds3

About [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea

[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea (PubChem CID 47184335) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
PubChem CID47184335
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea
SMILESCCC1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
InChIInChI=1S/C15H21N3O2/c1-2-11-5-4-8-18(10-11)14(19)12-6-3-7-13(9-12)17-15(16)20/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H3,16,17,20)
InChIKeyDHBIKSONZSNNSU-UHFFFAOYSA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]urea
CID 9225541
[3-(3-aminoprop-1-ynyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 60822292
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
(3-ethylpiperidin-1-yl)-[3-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 60815760
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea?
The IUPAC name of [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea (CID 47184335) is [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea is CCC1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1.
What is the InChIKey of [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea?
The InChIKey is DHBIKSONZSNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-11-5-4-8-18(10-11)14(19)12-6-3-7-13(9-12)17-15(16)20/h3,6-7,9,11H,2,4-5,8,10H2,1H3,(H3,16,17,20).
What are the key properties of [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea?
[3-(3-ethylpiperidine-1-carbonyl)phenyl]urea has a molecular weight of 275.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylpiperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 47184335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).