1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea

C17H22FN3O2 — CID 138036103

IUPAC1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(C(=O)C2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C17H22FN3O2/c1-19-17(23)20-13-6-8-21(9-7-13)16(22)15-4-2-11-10-12(18)3-5-14(11)15/h3,5,10,13,15H,2,4,6-9H2,1H3,(H2,19,20,23)
InChIKeyNOUWOVFCNVGDTD-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.78
Rot. Bonds2

About 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea

1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea (PubChem CID 138036103) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea
PubChem CID138036103
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(C(=O)C2CCc3cc(F)ccc32)CC1
InChIInChI=1S/C17H22FN3O2/c1-19-17(23)20-13-6-8-21(9-7-13)16(22)15-4-2-11-10-12(18)3-5-14(11)15/h3,5,10,13,15H,2,4,6-9H2,1H3,(H2,19,20,23)
InChIKeyNOUWOVFCNVGDTD-UHFFFAOYSA-N
XLogP1.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone
CID 138035163
(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 138035109
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141288527
(3S)-N-ethyl-3-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]carbamoylamino]pyrrolidine-1-carboxamide
CID 97321215
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-(2,4-dimethyl-3-pyridinyl)-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide
CID 138037112
methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 115033822
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea?
The IUPAC name of 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea (CID 138036103) is 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea?
The canonical SMILES for 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea is CNC(=O)NC1CCN(C(=O)C2CCc3cc(F)ccc32)CC1.
What is the InChIKey of 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea?
The InChIKey is NOUWOVFCNVGDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-19-17(23)20-13-6-8-21(9-7-13)16(22)15-4-2-11-10-12(18)3-5-14(11)15/h3,5,10,13,15H,2,4,6-9H2,1H3,(H2,19,20,23).
What are the key properties of 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea?
1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea has a molecular weight of 319.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-3-methylurea is sourced from PubChem (CID 138036103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).