N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride

C20H29ClN2O — CID 3069963

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H28N2O.ClH/c23-19(10-13-22-11-2-1-3-12-22)21-20-17-8-4-6-15(17)14-16-7-5-9-18(16)20;/h14H,1-13H2,(H,21,23);1H
InChIKeyKKXAVGBTBAOVLD-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.90
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride (PubChem CID 3069963) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride
PubChem CID3069963
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1CCCCC1)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H28N2O.ClH/c23-19(10-13-22-11-2-1-3-12-22)21-20-17-8-4-6-15(17)14-16-7-5-9-18(16)20;/h14H,1-13H2,(H,21,23);1H
InChIKeyKKXAVGBTBAOVLD-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride (CID 3069963) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride is Cl.O=C(CCN1CCCCC1)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
The InChIKey is KKXAVGBTBAOVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O.ClH/c23-19(10-13-22-11-2-1-3-12-22)21-20-17-8-4-6-15(17)14-16-7-5-9-18(16)20;/h14H,1-13H2,(H,21,23);1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 3069963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).