1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea

C18H27N3O2 — CID 110895962

IUPAC1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C18H27N3O2/c1-13(12-21-9-5-2-6-10-21)19-18(23)20-17-15-8-4-3-7-14(15)11-16(17)22/h3-4,7-8,13,16-17,22H,2,5-6,9-12H2,1H3,(H2,19,20,23)
InChIKeyQXJIWDIBQZOABC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.82
Rot. Bonds4

About 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea (PubChem CID 110895962) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
PubChem CID110895962
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
SMILESCC(CN1CCCCC1)NC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C18H27N3O2/c1-13(12-21-9-5-2-6-10-21)19-18(23)20-17-15-8-4-3-7-14(15)11-16(17)22/h3-4,7-8,13,16-17,22H,2,5-6,9-12H2,1H3,(H2,19,20,23)
InChIKeyQXJIWDIBQZOABC-UHFFFAOYSA-N
XLogP1.82
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111435373
1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895956
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 75613660

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea (CID 110895962) is 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea is CC(CN1CCCCC1)NC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
The InChIKey is QXJIWDIBQZOABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(12-21-9-5-2-6-10-21)19-18(23)20-17-15-8-4-3-7-14(15)11-16(17)22/h3-4,7-8,13,16-17,22H,2,5-6,9-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea?
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea has a molecular weight of 317.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 110895962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).