7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione

C26H30N4O4 — CID 55967720

IUPAC7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H30N4O4/c1-4-30-23-22(24(31)28-26(30)33)20(14-21(27-23)17-6-7-17)25(32)29-11-9-18(10-12-29)34-19-8-5-15(2)16(3)13-19/h5,8,13-14,17-18H,4,6-7,9-12H2,1-3H3,(H,28,31,33)
InChIKeyBTZGSCSGVPNWRI-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.28
Rot. Bonds5

About 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione

7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 55967720) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID55967720
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)cc(C3CC3)nc21
InChIInChI=1S/C26H30N4O4/c1-4-30-23-22(24(31)28-26(30)33)20(14-21(27-23)17-6-7-17)25(32)29-11-9-18(10-12-29)34-19-8-5-15(2)16(3)13-19/h5,8,13-14,17-18H,4,6-7,9-12H2,1-3H3,(H,28,31,33)
InChIKeyBTZGSCSGVPNWRI-UHFFFAOYSA-N
XLogP3.28
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120814683
5-(4-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119375755
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 120804444
(4-fluorophenyl)methyl 7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 71897602
7-cyclopropyl-1-ethyl-2,4-dioxo-N-(2-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37248102
7-cyclopropyl-1-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39683908
7-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 112843664
ethyl (3S)-1-(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297679
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
7-cyclopropyl-1-(2-methylpropyl)-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 55929380
5-(3-aminopiperidine-1-carbonyl)-7-cyclopropyl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 119380475
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 55967720) is 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BTZGSCSGVPNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-4-30-23-22(24(31)28-26(30)33)20(14-21(27-23)17-6-7-17)25(32)29-11-9-18(10-12-29)34-19-8-5-15(2)16(3)13-19/h5,8,13-14,17-18H,4,6-7,9-12H2,1-3H3,(H,28,31,33).
What are the key properties of 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 462.55 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 55967720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).