N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide

C15H19BrN2O — CID 119317747

IUPACN-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2c(Br)cccc21)C1CCCNC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)10-3-2-8-17-9-10/h1,4-5,10,14,17H,2-3,6-9H2,(H,18,19)
InChIKeySYVVXDULNQEIKZ-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.55
Rot. Bonds2

About N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide (PubChem CID 119317747) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide
PubChem CID119317747
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCc2c(Br)cccc21)C1CCCNC1
InChIInChI=1S/C15H19BrN2O/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)10-3-2-8-17-9-10/h1,4-5,10,14,17H,2-3,6-9H2,(H,18,19)
InChIKeySYVVXDULNQEIKZ-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119301428
N-[(2S)-1-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 94728342
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-3-ylmethanone
CID 119312758
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119773537
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 119310235
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
(2S,4S)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-4-carboxamide
CID 120625253
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide (CID 119317747) is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide is O=C(NC1CCc2c(Br)cccc21)C1CCCNC1.
What is the InChIKey of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide?
The InChIKey is SYVVXDULNQEIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)10-3-2-8-17-9-10/h1,4-5,10,14,17H,2-3,6-9H2,(H,18,19).
What are the key properties of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide?
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119317747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).