(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C19H21N3O3 — CID 95308857

IUPAC(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCC[C@@H](n3cccn3)C1)=C2
InChIInChI=1S/C19H21N3O3/c1-24-17-7-2-5-14-11-15(13-25-18(14)17)19(23)21-9-3-6-16(12-21)22-10-4-8-20-22/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3/t16-/m1/s1
InChIKeyKAVAVBGSUJAPKE-MRXNPFEDSA-N
MW339.40 g/mol
LogP2.53
Rot. Bonds3

About (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95308857) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95308857
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCC[C@@H](n3cccn3)C1)=C2
InChIInChI=1S/C19H21N3O3/c1-24-17-7-2-5-14-11-15(13-25-18(14)17)19(23)21-9-3-6-16(12-21)22-10-4-8-20-22/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3/t16-/m1/s1
InChIKeyKAVAVBGSUJAPKE-MRXNPFEDSA-N
XLogP2.53
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283159
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119483721
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 120658309
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509
[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119434852
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95308857) is (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is COc1cccc2c1OCC(C(=O)N1CCC[C@@H](n3cccn3)C1)=C2.
What is the InChIKey of (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is KAVAVBGSUJAPKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-17-7-2-5-14-11-15(13-25-18(14)17)19(23)21-9-3-6-16(12-21)22-10-4-8-20-22/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95308857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).