N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C19H29ClN2O2 — CID 119762185

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1CCOc2ccccc21)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-14(15-5-4-9-20-12-15)11-19(22)21-13-16-8-10-23-18-7-3-2-6-17(16)18;/h2-3,6-7,14-16,20H,4-5,8-13H2,1H3,(H,21,22);1H
InChIKeyIKLHTWPDKIZDMZ-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.12
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119762185) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119762185
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1CCOc2ccccc21)C1CCCNC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-14(15-5-4-9-20-12-15)11-19(22)21-13-16-8-10-23-18-7-3-2-6-17(16)18;/h2-3,6-7,14-16,20H,4-5,8-13H2,1H3,(H,21,22);1H
InChIKeyIKLHTWPDKIZDMZ-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119794620
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide
CID 119719387
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119800553

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119762185) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCC1CCOc2ccccc21)C1CCCNC1.Cl.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is IKLHTWPDKIZDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-14(15-5-4-9-20-12-15)11-19(22)21-13-16-8-10-23-18-7-3-2-6-17(16)18;/h2-3,6-7,14-16,20H,4-5,8-13H2,1H3,(H,21,22);1H.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119762185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).