1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C19H29N3O2 — CID 111435373

IUPAC1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCC1CCCCN1CCNC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C19H29N3O2/c1-2-15-8-5-6-11-22(15)12-10-20-19(24)21-18-16-9-4-3-7-14(16)13-17(18)23/h3-4,7,9,15,17-18,23H,2,5-6,8,10-13H2,1H3,(H2,20,21,24)
InChIKeyOECGXYXRLMFYTE-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 111435373) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID111435373
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCC1CCCCN1CCNC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C19H29N3O2/c1-2-15-8-5-6-11-22(15)12-10-20-19(24)21-18-16-9-4-3-7-14(16)13-17(18)23/h3-4,7,9,15,17-18,23H,2,5-6,8,10-13H2,1H3,(H2,20,21,24)
InChIKeyOECGXYXRLMFYTE-UHFFFAOYSA-N
XLogP2.21
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[2-[butyl(methyl)amino]ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111121310
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 110895962
N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]ethyl]-4-methylbenzamide
CID 136525095
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 96562833
1-[4-(cyanomethyl)phenyl]-3-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]urea
CID 95626204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 111435373) is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is CCC1CCCCN1CCNC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is OECGXYXRLMFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-15-8-5-6-11-22(15)12-10-20-19(24)21-18-16-9-4-3-7-14(16)13-17(18)23/h3-4,7,9,15,17-18,23H,2,5-6,8,10-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 331.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 111435373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).