[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C12H14F2N2O — CID 126829415

IUPAC[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(=C(F)F)CC1
InChIInChI=1S/C12H14F2N2O/c1-15-6-2-3-10(15)12(17)16-7-4-9(5-8-16)11(13)14/h2-3,6H,4-5,7-8H2,1H3
InChIKeyVAQQHONMVWEZCS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.41
Rot. Bonds1

About [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 126829415) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID126829415
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(=C(F)F)CC1
InChIInChI=1S/C12H14F2N2O/c1-15-6-2-3-10(15)12(17)16-7-4-9(5-8-16)11(13)14/h2-3,6H,4-5,7-8H2,1H3
InChIKeyVAQQHONMVWEZCS-UHFFFAOYSA-N
XLogP2.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
(1-methylpyrrol-2-yl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 71977597
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112763018
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
1-methylpyrrole-2-carbonyl fluoride
CID 119090351
2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557339
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
1-methylpyrrole-2-carboxylic acid;hydrochloride
CID 69426436

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 126829415) is [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC(=C(F)F)CC1.
What is the InChIKey of [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is VAQQHONMVWEZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-15-6-2-3-10(15)12(17)16-7-4-9(5-8-16)11(13)14/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 240.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylidene)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 126829415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).