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

C22H30N4O3 — CID 53107366

IUPAC1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3CC)C2)cc1
InChIInChI=1S/C22H30N4O3/c1-4-16-8-10-17(11-9-16)14-23-21(28)18-7-6-12-25(15-18)19-13-20(27)24(3)22(29)26(19)5-2/h8-11,13,18H,4-7,12,14-15H2,1-3H3,(H,23,28)
InChIKeyTVWSKEGSTVDRCR-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.66
Rot. Bonds6

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

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53107366) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53107366
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3CC)C2)cc1
InChIInChI=1S/C22H30N4O3/c1-4-16-8-10-17(11-9-16)14-23-21(28)18-7-6-12-25(15-18)19-13-20(27)24(3)22(29)26(19)5-2/h8-11,13,18H,4-7,12,14-15H2,1-3H3,(H,23,28)
InChIKeyTVWSKEGSTVDRCR-UHFFFAOYSA-N
XLogP1.66
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95085974
(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53107368
(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 93070814
(3R)-N-[(4-chlorophenyl)methyl]-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086121
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95086065
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 93062627
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46381377
N-(3,4-dimethylphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53107376
(3S)-N-(3,5-dimethoxyphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086014
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 93070805
(3S)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 93061242

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (CID 53107366) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)C2CCCN(c3cc(=O)n(C)c(=O)n3CC)C2)cc1.
What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is TVWSKEGSTVDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-16-8-10-17(11-9-16)14-23-21(28)18-7-6-12-25(15-18)19-13-20(27)24(3)22(29)26(19)5-2/h8-11,13,18H,4-7,12,14-15H2,1-3H3,(H,23,28).
What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53107366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).