1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

C24H33N5O3 — CID 55717934

IUPAC1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
SMILESCN1CCN(C(=O)C2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)CC1
InChIInChI=1S/C24H33N5O3/c1-26-15-17-28(18-16-26)24(32)20-9-12-27(13-10-20)22(30)7-8-23(31)29-14-11-21(25-29)19-5-3-2-4-6-19/h2-6,20H,7-18H2,1H3
InChIKeyNUGZXRUURLEDMT-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.42
Rot. Bonds5

About 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione (PubChem CID 55717934) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
PubChem CID55717934
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
SMILESCN1CCN(C(=O)C2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)CC1
InChIInChI=1S/C24H33N5O3/c1-26-15-17-28(18-16-26)24(32)20-9-12-27(13-10-20)22(30)7-8-23(31)29-14-11-21(25-29)19-5-3-2-4-6-19/h2-6,20H,7-18H2,1H3
InChIKeyNUGZXRUURLEDMT-UHFFFAOYSA-N
XLogP1.42
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzoylpiperidin-1-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 18143350
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 128950944
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione
CID 31421196
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 112836774
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione
CID 27810008
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55547857
N-(4-anilinophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18292961
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 17395197
N-methyl-4-oxo-N-(4-phenylcyclohexyl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55588724
1-[4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 56544721

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
The IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione (CID 55717934) is 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
The canonical SMILES for 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione is CN1CCN(C(=O)C2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
The InChIKey is NUGZXRUURLEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-26-15-17-28(18-16-26)24(32)20-9-12-27(13-10-20)22(30)7-8-23(31)29-14-11-21(25-29)19-5-3-2-4-6-19/h2-6,20H,7-18H2,1H3.
What are the key properties of 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione?
1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione has a molecular weight of 439.56 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione is sourced from PubChem (CID 55717934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).