1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

C20H33N5O3 — CID 53010407

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1CCN(CCNC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C20H33N5O3/c1-15-6-10-24(11-7-15)12-8-21-19(27)16-5-4-9-25(14-16)17-13-18(26)23(3)20(28)22(17)2/h13,15-16H,4-12,14H2,1-3H3,(H,21,27)
InChIKeyWIYFLEGNBBXXKD-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.15
Rot. Bonds5

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 53010407) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID53010407
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1CCN(CCNC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1
InChIInChI=1S/C20H33N5O3/c1-15-6-10-24(11-7-15)12-8-21-19(27)16-5-4-9-25(14-16)17-13-18(26)23(3)20(28)22(17)2/h13,15-16H,4-12,14H2,1-3H3,(H,21,27)
InChIKeyWIYFLEGNBBXXKD-UHFFFAOYSA-N
XLogP0.15
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (CID 53010407) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is CC1CCN(CCNC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is WIYFLEGNBBXXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-15-6-10-24(11-7-15)12-8-21-19(27)16-5-4-9-25(14-16)17-13-18(26)23(3)20(28)22(17)2/h13,15-16H,4-12,14H2,1-3H3,(H,21,27).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 53010407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).