1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea

C18H21N3O3 — CID 57003048

IUPAC1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea
SMILESCN1CCC(C(=O)c2cccc(N(C(N)=O)c3ccco3)c2)CC1
InChIInChI=1S/C18H21N3O3/c1-20-9-7-13(8-10-20)17(22)14-4-2-5-15(12-14)21(18(19)23)16-6-3-11-24-16/h2-6,11-13H,7-10H2,1H3,(H2,19,23)
InChIKeyDIPYHPDMAMQDEY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.02
Rot. Bonds4

About 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea

1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea (PubChem CID 57003048) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea
PubChem CID57003048
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea
SMILESCN1CCC(C(=O)c2cccc(N(C(N)=O)c3ccco3)c2)CC1
InChIInChI=1S/C18H21N3O3/c1-20-9-7-13(8-10-20)17(22)14-4-2-5-15(12-14)21(18(19)23)16-6-3-11-24-16/h2-6,11-13H,7-10H2,1H3,(H2,19,23)
InChIKeyDIPYHPDMAMQDEY-UHFFFAOYSA-N
XLogP3.02
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 57083305
1-(4-methylphenyl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 57121630
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-(3,4,5-trifluorophenyl)thiourea
CID 87796707
1-(4-cyanophenyl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 57019930
1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-(2-nitrophenyl)thiourea
CID 57256893
(3-aminophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 75412242
1-(aminomethyl)-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-phenylthiourea
CID 174366758
1-[3-(1-ethylpiperidine-4-carbonyl)phenyl]-1-(2,4,5-trifluorophenyl)thiourea
CID 23499312
1-methyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea
CID 86759511
(2S)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide;(2R)-2-hydroxy-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]propanamide
CID 160998989
1-(3,4-difluorophenyl)-1-[3-(2-hydroxy-9-methyl-2-oxo-1,3-dioxa-9-aza-2λ5-phosphaspiro[3.5]nonane-6-carbonyl)phenyl]thiourea
CID 140504556
3-[1-methoxyprop-2-ynyl-(1-methylpiperidin-4-yl)amino]benzamide
CID 167459564

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea (CID 57003048) is 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea is CN1CCC(C(=O)c2cccc(N(C(N)=O)c3ccco3)c2)CC1.
What is the InChIKey of 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea?
The InChIKey is DIPYHPDMAMQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20-9-7-13(8-10-20)17(22)14-4-2-5-15(12-14)21(18(19)23)16-6-3-11-24-16/h2-6,11-13H,7-10H2,1H3,(H2,19,23).
What are the key properties of 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea?
1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea has a molecular weight of 327.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 57003048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).