N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C18H26Cl2N2O — CID 119744290

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCc2cc(Cl)ccc21)C1CCNCC1.Cl
InChIInChI=1S/C18H25ClN2O.ClH/c1-12(13-6-8-20-9-7-13)10-18(22)21-17-5-2-14-11-15(19)3-4-16(14)17;/h3-4,11-13,17,20H,2,5-10H2,1H3,(H,21,22);1H
InChIKeyCGUZIJYZXMMKGA-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.89
Rot. Bonds4

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119744290) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119744290
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCc2cc(Cl)ccc21)C1CCNCC1.Cl
InChIInChI=1S/C18H25ClN2O.ClH/c1-12(13-6-8-20-9-7-13)10-18(22)21-17-5-2-14-11-15(19)3-4-16(14)17;/h3-4,11-13,17,20H,2,5-10H2,1H3,(H,21,22);1H
InChIKeyCGUZIJYZXMMKGA-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119798477
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119744300
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119744290) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NC1CCc2cc(Cl)ccc21)C1CCNCC1.Cl.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is CGUZIJYZXMMKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O.ClH/c1-12(13-6-8-20-9-7-13)10-18(22)21-17-5-2-14-11-15(19)3-4-16(14)17;/h3-4,11-13,17,20H,2,5-10H2,1H3,(H,21,22);1H.
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 357.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119744290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).