N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride

C16H22BrClN2O2 — CID 119773537

IUPACN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NC2CCc3c(Br)cccc32)CCNCC1.Cl
InChIInChI=1S/C16H21BrN2O2.ClH/c1-21-16(7-9-18-10-8-16)15(20)19-14-6-5-11-12(14)3-2-4-13(11)17;/h2-4,14,18H,5-10H2,1H3,(H,19,20);1H
InChIKeyBFWLIYKWOBMFCV-UHFFFAOYSA-N
MW389.72 g/mol
LogP2.74
Rot. Bonds3

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

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119773537) has the molecular formula C16H22BrClN2O2 and a molecular weight of 389.72 g/mol. Its IUPAC name is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119773537
Molecular FormulaC16H22BrClN2O2
Molecular Weight389.72 g/mol
Exact Mass388.06
IUPAC NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NC2CCc3c(Br)cccc32)CCNCC1.Cl
InChIInChI=1S/C16H21BrN2O2.ClH/c1-21-16(7-9-18-10-8-16)15(20)19-14-6-5-11-12(14)3-2-4-13(11)17;/h2-4,14,18H,5-10H2,1H3,(H,19,20);1H
InChIKeyBFWLIYKWOBMFCV-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119773537) is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NC2CCc3c(Br)cccc32)CCNCC1.Cl.
What is the InChIKey of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is BFWLIYKWOBMFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2.ClH/c1-21-16(7-9-18-10-8-16)15(20)19-14-6-5-11-12(14)3-2-4-13(11)17;/h2-4,14,18H,5-10H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 389.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119773537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).