[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone

C20H24N2O3 — CID 36513567

IUPAC[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H24N2O3/c23-19(15-5-1-2-6-15)21-9-11-22(12-10-21)20(24)17-13-16-7-3-4-8-18(16)25-14-17/h3-4,7-8,13,15H,1-2,5-6,9-12,14H2
InChIKeyGGBOQGURDWSWBL-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.32
Rot. Bonds2

About [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone

[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone (PubChem CID 36513567) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
PubChem CID36513567
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H24N2O3/c23-19(15-5-1-2-6-15)21-9-11-22(12-10-21)20(24)17-13-16-7-3-4-8-18(16)25-14-17/h3-4,7-8,13,15H,1-2,5-6,9-12,14H2
InChIKeyGGBOQGURDWSWBL-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 32890239
1-(2H-chromene-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953975
2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
2H-chromen-3-yl-(2-methylpiperidin-1-yl)methanone
CID 22578416
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
2H-chromen-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110887040
[(2S)-4-(2H-chromene-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 9393976
1-(2H-chromene-3-carbothioyl)piperidine-4-carboxamide
CID 126203159
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 26810605
2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55746812

Frequently Asked Questions

What is the IUPAC name of [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone (CID 36513567) is [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone is O=C(C1=Cc2ccccc2OC1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is GGBOQGURDWSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(15-5-1-2-6-15)21-9-11-22(12-10-21)20(24)17-13-16-7-3-4-8-18(16)25-14-17/h3-4,7-8,13,15H,1-2,5-6,9-12,14H2.
What are the key properties of [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone?
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 340.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 36513567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).