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

C19H29ClN2O — CID 119746195

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1Cc2ccccc2C1)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14(17-8-5-9-20-13-17)10-19(22)21(2)18-11-15-6-3-4-7-16(15)12-18;/h3-4,6-7,14,17-18,20H,5,8-13H2,1-2H3;1H
InChIKeyXERFEFSOVRSINF-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.06
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119746195) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119746195
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1Cc2ccccc2C1)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14(17-8-5-9-20-13-17)10-19(22)21(2)18-11-15-6-3-4-7-16(15)12-18;/h3-4,6-7,14,17-18,20H,5,8-13H2,1-2H3;1H
InChIKeyXERFEFSOVRSINF-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
N-methyl-N-(3-phenoxypropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119731938
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 119742625
N-methyl-N-(2-methyl-1-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119783519
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-methyl-3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 119859562
N-methyl-3-piperidin-3-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119807731
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride (CID 119746195) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)N(C)C1Cc2ccccc2C1)C1CCCNC1.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XERFEFSOVRSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-14(17-8-5-9-20-13-17)10-19(22)21(2)18-11-15-6-3-4-7-16(15)12-18;/h3-4,6-7,14,17-18,20H,5,8-13H2,1-2H3;1H.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119746195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).