3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride

C16H19ClN2O3 — CID 119375931

IUPAC3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride
SMILESCc1c(C(=O)N2CCC(N)CC2)c(=O)oc2ccccc12.Cl
InChIInChI=1S/C16H18N2O3.ClH/c1-10-12-4-2-3-5-13(12)21-16(20)14(10)15(19)18-8-6-11(17)7-9-18;/h2-5,11H,6-9,17H2,1H3;1H
InChIKeyQFAAJPBAMFIBGA-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.09
Rot. Bonds1

About 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride

3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride (PubChem CID 119375931) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride
PubChem CID119375931
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride
SMILESCc1c(C(=O)N2CCC(N)CC2)c(=O)oc2ccccc12.Cl
InChIInChI=1S/C16H18N2O3.ClH/c1-10-12-4-2-3-5-13(12)21-16(20)14(10)15(19)18-8-6-11(17)7-9-18;/h2-5,11H,6-9,17H2,1H3;1H
InChIKeyQFAAJPBAMFIBGA-UHFFFAOYSA-N
XLogP2.09
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride?
The IUPAC name of 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride (CID 119375931) is 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride.
What is the SMILES notation for 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride?
The canonical SMILES for 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride is Cc1c(C(=O)N2CCC(N)CC2)c(=O)oc2ccccc12.Cl.
What is the InChIKey of 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride?
The InChIKey is QFAAJPBAMFIBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3.ClH/c1-10-12-4-2-3-5-13(12)21-16(20)14(10)15(19)18-8-6-11(17)7-9-18;/h2-5,11H,6-9,17H2,1H3;1H.
What are the key properties of 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride?
3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride has a molecular weight of 322.79 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride is sourced from PubChem (CID 119375931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).