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

C19H26ClN2O- — CID 53351434

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)NC1CCc2cc3c(cc21)CCC3.[Cl-]
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/p-1
InChIKeySBSWDKOTSVJMIH-UHFFFAOYSA-M
MW333.88 g/mol
LogP-0.23
Rot. Bonds3

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride (PubChem CID 53351434) has the molecular formula C19H26ClN2O- and a molecular weight of 333.88 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
PubChem CID53351434
Molecular FormulaC19H26ClN2O-
Molecular Weight333.88 g/mol
Exact Mass333.17
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)NC1CCc2cc3c(cc21)CCC3.[Cl-]
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/p-1
InChIKeySBSWDKOTSVJMIH-UHFFFAOYSA-M
XLogP-0.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
CID 3058673
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)benzamide
CID 3058670
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-morpholin-4-ylacetamide
CID 91793858
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 138016937
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide
CID 25303679
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448

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 chloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride (CID 53351434) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride is O=C(CN1CCCCC1)NC1CCc2cc3c(cc21)CCC3.[Cl-].
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride?
The InChIKey is SBSWDKOTSVJMIH-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride has a molecular weight of 333.88 g/mol, XLogP of -0.23, 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 chloride is sourced from PubChem (CID 53351434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).