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

C19H32N6O3 — CID 46381317

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1
InChIInChI=1S/C19H32N6O3/c1-21-10-12-24(13-11-21)9-6-20-18(27)15-4-7-25(8-5-15)16-14-17(26)23(3)19(28)22(16)2/h14-15H,4-13H2,1-3H3,(H,20,27)
InChIKeyJOUIJSWECAPYHZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP-1.34
Rot. Bonds5

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46381317) has the molecular formula C19H32N6O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID46381317
Molecular FormulaC19H32N6O3
Molecular Weight392.50 g/mol
Exact Mass392.25
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1
InChIInChI=1S/C19H32N6O3/c1-21-10-12-24(13-11-21)9-6-20-18(27)15-4-7-25(8-5-15)16-14-17(26)23(3)19(28)22(16)2/h14-15H,4-13H2,1-3H3,(H,20,27)
InChIKeyJOUIJSWECAPYHZ-UHFFFAOYSA-N
XLogP-1.34
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 46381317) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is CN1CCN(CCNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)CC1.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is JOUIJSWECAPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O3/c1-21-10-12-24(13-11-21)9-6-20-18(27)15-4-7-25(8-5-15)16-14-17(26)23(3)19(28)22(16)2/h14-15H,4-13H2,1-3H3,(H,20,27).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of -1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46381317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).