[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

C19H24N4O3 — CID 109238550

IUPAC[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCN(CC)c1cncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-3-21(4-2)16-12-15(13-20-14-16)18(24)22-7-9-23(10-8-22)19(25)17-6-5-11-26-17/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyCMOPPFCMFHJJMX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.12
Rot. Bonds5

About [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 109238550) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID109238550
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCN(CC)c1cncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-3-21(4-2)16-12-15(13-20-14-16)18(24)22-7-9-23(10-8-22)19(25)17-6-5-11-26-17/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKeyCMOPPFCMFHJJMX-UHFFFAOYSA-N
XLogP2.12
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
furan-2-yl-[4-[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 109230109
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030084
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
CID 109048336
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
[5-[4-(diethylamino)anilino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230532

Frequently Asked Questions

What is the IUPAC name of [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 109238550) is [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is CCN(CC)c1cncc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is CMOPPFCMFHJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-21(4-2)16-12-15(13-20-14-16)18(24)22-7-9-23(10-8-22)19(25)17-6-5-11-26-17/h5-6,11-14H,3-4,7-10H2,1-2H3.
What are the key properties of [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 109238550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).