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

C19H27ClN2O — CID 3058667

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCCC1)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C19H26N2O.ClH/c22-19(13-21-9-2-1-3-10-21)20-18-8-7-16-11-14-5-4-6-15(14)12-17(16)18;/h11-12,18H,1-10,13H2,(H,20,22);1H
InChIKeySBSWDKOTSVJMIH-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.19
Rot. Bonds3

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride (PubChem CID 3058667) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride
PubChem CID3058667
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCCC1)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C19H26N2O.ClH/c22-19(13-21-9-2-1-3-10-21)20-18-8-7-16-11-14-5-4-6-15(14)12-17(16)18;/h11-12,18H,1-10,13H2,(H,20,22);1H
InChIKeySBSWDKOTSVJMIH-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
N-cyclopentyl-2-(3,4-dihydro-2(1H)-isoquinolinyl)acetamide
CID 2123034
Acetamide, 2-(diethylamino)-N-(9-fluorenyl)-, hydrochloride
CID 3055371
Acetamide, 2-(diethylamino)-N-(1-indanyl)-, hydrochloride
CID 3055375
2-(Diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 3055376
Acetamide, 2-(dipropylamino)-N-(1-indanyl)-, hydrochloride
CID 3055387
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)acetamide
CID 53268
Acetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, monohydrochloride, hydrate
CID 53269
N-(2,3-Dihydro-1H-inden-1-yl)-2-(dimethylamino)ethanimidic acid
CID 110871
1-Indanamine, N-(2-morpholinoacetyl)-
CID 110876
1-Indanamine, N-(2-diethylaminoacetyl)-2-phenyl-, hydrochloride
CID 115645
1-Indanamine, N-(2-dimethylaminoacetyl)-2-phenyl-
CID 115653

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride (CID 3058667) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCCC1)NC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride?
The InChIKey is SBSWDKOTSVJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O.ClH/c22-19(13-21-9-2-1-3-10-21)20-18-8-7-16-11-14-5-4-6-15(14)12-17(16)18;/h11-12,18H,1-10,13H2,(H,20,22);1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 3.19, 3 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-1-yl)-2-piperidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 3058667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).