1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide

C16H19BrN2O2 — CID 84577497

IUPAC1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2Cc3ccc(Br)cc3C2)CC1
InChIInChI=1S/C16H19BrN2O2/c17-14-2-1-11-7-13(8-12(11)9-14)16(21)19-5-3-10(4-6-19)15(18)20/h1-2,9-10,13H,3-8H2,(H2,18,20)
InChIKeyUYBSKCRJQWVPEN-UHFFFAOYSA-N
MW351.24 g/mol
LogP1.89
Rot. Bonds2

About 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide

1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 84577497) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide
PubChem CID84577497
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2Cc3ccc(Br)cc3C2)CC1
InChIInChI=1S/C16H19BrN2O2/c17-14-2-1-11-7-13(8-12(11)9-14)16(21)19-5-3-10(4-6-19)15(18)20/h1-2,9-10,13H,3-8H2,(H2,18,20)
InChIKeyUYBSKCRJQWVPEN-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxylate
CID 112531676
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
5-bromo-2-(4-carbamoylpiperidin-1-yl)benzoic acid
CID 114061337
1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
CID 82971943
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
(5-amino-2,3-dihydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 89394423
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
(6-aminosulfanyl-2-methyl-2,3-dihydroindol-1-yl)-[(2R)-5-bromo-2,3-dihydro-1H-inden-2-yl]methanone
CID 170593212

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide (CID 84577497) is 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2Cc3ccc(Br)cc3C2)CC1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is UYBSKCRJQWVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-14-2-1-11-7-13(8-12(11)9-14)16(21)19-5-3-10(4-6-19)15(18)20/h1-2,9-10,13H,3-8H2,(H2,18,20).
What are the key properties of 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide?
1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 84577497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).