3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C22H24N4O3 — CID 121021774

IUPAC3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC(C(=O)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-2-17(15-7-4-3-5-8-15)20(27)25-13-10-16(11-14-25)26-21(28)18-9-6-12-23-19(18)24-22(26)29/h3-9,12,16-17H,2,10-11,13-14H2,1H3,(H,23,24,29)
InChIKeyNBFUVTWNPWMNOO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.44
Rot. Bonds4

About 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 121021774) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID121021774
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCC(C(=O)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-2-17(15-7-4-3-5-8-15)20(27)25-13-10-16(11-14-25)26-21(28)18-9-6-12-23-19(18)24-22(26)29/h3-9,12,16-17H,2,10-11,13-14H2,1H3,(H,23,24,29)
InChIKeyNBFUVTWNPWMNOO-UHFFFAOYSA-N
XLogP2.44
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 121021774) is 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CCC(C(=O)N1CCC(n2c(=O)[nH]c3ncccc3c2=O)CC1)c1ccccc1.
What is the InChIKey of 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NBFUVTWNPWMNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-17(15-7-4-3-5-8-15)20(27)25-13-10-16(11-14-25)26-21(28)18-9-6-12-23-19(18)24-22(26)29/h3-9,12,16-17H,2,10-11,13-14H2,1H3,(H,23,24,29).
What are the key properties of 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 121021774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).