[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone

C14H14ClN3O2 — CID 47129924

IUPAC[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-5-16-13(11)17-6-8-18(9-7-17)14(19)12-4-2-10-20-12/h1-5,10H,6-9H2
InChIKeyNAWMNLXOIBSQFU-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.29
Rot. Bonds2

About [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 47129924) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID47129924
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-5-16-13(11)17-6-8-18(9-7-17)14(19)12-4-2-10-20-12/h1-5,10H,6-9H2
InChIKeyNAWMNLXOIBSQFU-UHFFFAOYSA-N
XLogP2.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
4-(furan-2-carbonyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 136577040
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxylic acid
CID 53270741
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 47129924) is [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is NAWMNLXOIBSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-3-1-5-16-13(11)17-6-8-18(9-7-17)14(19)12-4-2-10-20-12/h1-5,10H,6-9H2.
What are the key properties of [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 291.74 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 47129924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).