1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

C23H37N5O3 — CID 20972443

IUPAC1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC(C(=O)N3CCC(N4CCCCC4)CC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C23H37N5O3/c1-3-28-20(17-21(29)24(2)23(28)31)26-13-7-18(8-14-26)22(30)27-15-9-19(10-16-27)25-11-5-4-6-12-25/h17-19H,3-16H2,1-2H3
InChIKeyKAMXADMWMYZXNC-UHFFFAOYSA-N
MW431.58 g/mol
LogP1.26
Rot. Bonds4

About 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 20972443) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID20972443
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC Name1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC(C(=O)N3CCC(N4CCCCC4)CC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C23H37N5O3/c1-3-28-20(17-21(29)24(2)23(28)31)26-13-7-18(8-14-26)22(30)27-15-9-19(10-16-27)25-11-5-4-6-12-25/h17-19H,3-16H2,1-2H3
InChIKeyKAMXADMWMYZXNC-UHFFFAOYSA-N
XLogP1.26
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070816
1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 70717837
(4-piperidin-1-ylpiperidin-1-yl)-(4-sulfanylcyclohexyl)methanone
CID 170397887
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211
(3S)-N-(3,5-dimethoxyphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086014
[1-(6-methyl-1H-benzimidazol-2-yl)piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46358885
cyclopentyl-[4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42867399
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165655
1,3-dimethyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070846
3,7-dimethyl-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]purine-2,6-dione
CID 155552199
[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881418

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 20972443) is 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is CCn1c(N2CCC(C(=O)N3CCC(N4CCCCC4)CC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is KAMXADMWMYZXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O3/c1-3-28-20(17-21(29)24(2)23(28)31)26-13-7-18(8-14-26)22(30)27-15-9-19(10-16-27)25-11-5-4-6-12-25/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 431.58 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 20972443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).