1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea

C17H29N3O3 — CID 111505087

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
SMILESCC(CNC(=O)NCC(C)(O)c1ccco1)CN1CCCCC1
InChIInChI=1S/C17H29N3O3/c1-14(12-20-8-4-3-5-9-20)11-18-16(21)19-13-17(2,22)15-7-6-10-23-15/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H2,18,19,21)
InChIKeyGWCMPLYSTSHDNS-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.91
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea (PubChem CID 111505087) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
PubChem CID111505087
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea
SMILESCC(CNC(=O)NCC(C)(O)c1ccco1)CN1CCCCC1
InChIInChI=1S/C17H29N3O3/c1-14(12-20-8-4-3-5-9-20)11-18-16(21)19-13-17(2,22)15-7-6-10-23-15/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H2,18,19,21)
InChIKeyGWCMPLYSTSHDNS-UHFFFAOYSA-N
XLogP1.91
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
2-hydroxy-2-methyl-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 66175959
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]piperidine-3-carboxamide
CID 111482746
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95932826
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 55980146
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea (CID 111505087) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea is CC(CNC(=O)NCC(C)(O)c1ccco1)CN1CCCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
The InChIKey is GWCMPLYSTSHDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14(12-20-8-4-3-5-9-20)11-18-16(21)19-13-17(2,22)15-7-6-10-23-15/h6-7,10,14,22H,3-5,8-9,11-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea has a molecular weight of 323.44 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 111505087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).