3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride

C19H23ClN2O3 — CID 119999362

IUPAC3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride
SMILESCl.O=C(c1cc2ccccc2oc1=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C19H22N2O3.ClH/c22-18(15-12-14-4-1-2-6-17(14)24-19(15)23)21-10-7-13(8-11-21)16-5-3-9-20-16;/h1-2,4,6,12-13,16,20H,3,5,7-11H2;1H
InChIKeyUILSGOWZNCJKPH-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.82
Rot. Bonds2

About 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride

3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride (PubChem CID 119999362) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride.

Molecular Properties

Compound Name3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride
PubChem CID119999362
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride
SMILESCl.O=C(c1cc2ccccc2oc1=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C19H22N2O3.ClH/c22-18(15-12-14-4-1-2-6-17(14)24-19(15)23)21-10-7-13(8-11-21)16-5-3-9-20-16;/h1-2,4,6,12-13,16,20H,3,5,7-11H2;1H
InChIKeyUILSGOWZNCJKPH-UHFFFAOYSA-N
XLogP2.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
3-[3-(1-aminoethyl)piperidine-1-carbonyl]chromen-2-one;hydrochloride
CID 119594343
(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
3-(4-propanoyl-1,4-diazepane-1-carbonyl)chromen-2-one
CID 110805717
2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999606
3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159764

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride?
The IUPAC name of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride (CID 119999362) is 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride.
What is the SMILES notation for 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride?
The canonical SMILES for 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride is Cl.O=C(c1cc2ccccc2oc1=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride?
The InChIKey is UILSGOWZNCJKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c22-18(15-12-14-4-1-2-6-17(14)24-19(15)23)21-10-7-13(8-11-21)16-5-3-9-20-16;/h1-2,4,6,12-13,16,20H,3,5,7-11H2;1H.
What are the key properties of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride?
3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride is sourced from PubChem (CID 119999362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).