N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C18H23ClN2O3 — CID 119743870

IUPACN-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc2oc(=O)ccc2c1)C1CCCNC1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12(14-3-2-8-19-11-14)9-17(21)20-15-5-6-16-13(10-15)4-7-18(22)23-16;/h4-7,10,12,14,19H,2-3,8-9,11H2,1H3,(H,20,21);1H
InChIKeyBCACRNMJOZQDDE-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.18
Rot. Bonds4

About N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119743870) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119743870
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc2oc(=O)ccc2c1)C1CCCNC1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12(14-3-2-8-19-11-14)9-17(21)20-15-5-6-16-13(10-15)4-7-18(22)23-16;/h4-7,10,12,14,19H,2-3,8-9,11H2,1H3,(H,20,21);1H
InChIKeyBCACRNMJOZQDDE-UHFFFAOYSA-N
XLogP3.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2-oxochromen-6-yl)piperidine-3-carboxamide;hydrochloride
CID 119300608
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119781418
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119694618
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-piperidin-3-ylbutanamide
CID 119808164
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254

Frequently Asked Questions

What is the IUPAC name of N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119743870) is N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc2oc(=O)ccc2c1)C1CCCNC1.Cl.
What is the InChIKey of N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BCACRNMJOZQDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-12(14-3-2-8-19-11-14)9-17(21)20-15-5-6-16-13(10-15)4-7-18(22)23-16;/h4-7,10,12,14,19H,2-3,8-9,11H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxochromen-6-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119743870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).