3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one

C24H25NO4 — CID 171385946

IUPAC3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one
SMILESCCC(O)C1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1
InChIInChI=1S/C24H25NO4/c1-2-21(26)16-10-12-25(13-11-16)23(27)19-8-5-7-17(14-19)20-15-18-6-3-4-9-22(18)29-24(20)28/h3-9,14-16,21,26H,2,10-13H2,1H3
InChIKeyIQKQOSMXULEWGI-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.08
Rot. Bonds4

About 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one

3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one (PubChem CID 171385946) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one.

Molecular Properties

Compound Name3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one
PubChem CID171385946
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one
SMILESCCC(O)C1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1
InChIInChI=1S/C24H25NO4/c1-2-21(26)16-10-12-25(13-11-16)23(27)19-8-5-7-17(14-19)20-15-18-6-3-4-9-22(18)29-24(20)28/h3-9,14-16,21,26H,2,10-13H2,1H3
InChIKeyIQKQOSMXULEWGI-UHFFFAOYSA-N
XLogP4.08
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.08
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-[3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]chromen-2-one
CID 95216159
3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]chromen-2-one
CID 171388252
3-[3-[(3S)-3-aminopiperidine-1-carbonyl]phenyl]chromen-2-one
CID 171914664
3-[3-(3-methoxypiperidine-1-carbonyl)phenyl]chromen-2-one
CID 171389799
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
acetic acid;3-[3-(3-methylpiperazine-1-carbonyl)phenyl]chromen-2-one
CID 172897042
8-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 171907092
3-[3-(3-amino-1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]chromen-2-one
CID 171910561
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 17050042
3-methyl-9-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171912914
3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]pentanoic acid
CID 4838410
3-[3-(4-hydroxy-2,9-diazaspiro[5.5]undecane-2-carbonyl)phenyl]chromen-2-one
CID 171909101

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one?
The IUPAC name of 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one (CID 171385946) is 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one.
What is the SMILES notation for 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one?
The canonical SMILES for 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one is CCC(O)C1CCN(C(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1.
What is the InChIKey of 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one?
The InChIKey is IQKQOSMXULEWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-21(26)16-10-12-25(13-11-16)23(27)19-8-5-7-17(14-19)20-15-18-6-3-4-9-22(18)29-24(20)28/h3-9,14-16,21,26H,2,10-13H2,1H3.
What are the key properties of 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one?
3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one is sourced from PubChem (CID 171385946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).