5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

C24H32N4O3 — CID 46324292

IUPAC5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCc1c(N2CCN(C(=O)CCC3CCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C24H32N4O3/c1-18-22(23(30)25(2)24(31)28(18)20-10-4-3-5-11-20)27-16-14-26(15-17-27)21(29)13-12-19-8-6-7-9-19/h3-5,10-11,19H,6-9,12-17H2,1-2H3
InChIKeyGNDIQBPJVRCOBP-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.46
Rot. Bonds5

About 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (PubChem CID 46324292) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
PubChem CID46324292
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
SMILESCc1c(N2CCN(C(=O)CCC3CCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C24H32N4O3/c1-18-22(23(30)25(2)24(31)28(18)20-10-4-3-5-11-20)27-16-14-26(15-17-27)21(29)13-12-19-8-6-7-9-19/h3-5,10-11,19H,6-9,12-17H2,1-2H3
InChIKeyGNDIQBPJVRCOBP-UHFFFAOYSA-N
XLogP2.46
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-1-phenyl-5-(4-propanoylpiperazin-1-yl)pyrimidine-2,4-dione
CID 46324313
5-[4-[4-(diethylamino)benzoyl]piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 46324289
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 20933008
3-cyclopentyl-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]propan-1-one
CID 92756535
5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione
CID 50781754
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 42714371
3-cyclopentyl-1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90507766
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione (CID 46324292) is 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is Cc1c(N2CCN(C(=O)CCC3CCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is GNDIQBPJVRCOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-18-22(23(30)25(2)24(31)28(18)20-10-4-3-5-11-20)27-16-14-26(15-17-27)21(29)13-12-19-8-6-7-9-19/h3-5,10-11,19H,6-9,12-17H2,1-2H3.
What are the key properties of 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione?
5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 424.55 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 46324292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).