(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide

C24H35N5O3S — CID 93061288

IUPAC(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
SMILESCn1c(N2CCC[C@@H](C(=O)NCC3CCN(CCc4cccs4)CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C24H35N5O3S/c1-26-21(15-22(30)27(2)24(26)32)29-10-3-5-19(17-29)23(31)25-16-18-7-11-28(12-8-18)13-9-20-6-4-14-33-20/h4,6,14-15,18-19H,3,5,7-13,16-17H2,1-2H3,(H,25,31)/t19-/m1/s1
InChIKeyUFZQUZKHZXSQIZ-LJQANCHMSA-N
MW473.64 g/mol
LogP1.43
Rot. Bonds7

About (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide

(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 93061288) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
PubChem CID93061288
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
SMILESCn1c(N2CCC[C@@H](C(=O)NCC3CCN(CCc4cccs4)CC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C24H35N5O3S/c1-26-21(15-22(30)27(2)24(26)32)29-10-3-5-19(17-29)23(31)25-16-18-7-11-28(12-8-18)13-9-20-6-4-14-33-20/h4,6,14-15,18-19H,3,5,7-13,16-17H2,1-2H3,(H,25,31)/t19-/m1/s1
InChIKeyUFZQUZKHZXSQIZ-LJQANCHMSA-N
XLogP1.43
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 53010395
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95086085
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 53199213
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 53107443
(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
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
(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
(3S)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 93062627
3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide
CID 136525975
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide (CID 93061288) is (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide is Cn1c(N2CCC[C@@H](C(=O)NCC3CCN(CCc4cccs4)CC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is UFZQUZKHZXSQIZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-26-21(15-22(30)27(2)24(26)32)29-10-3-5-19(17-29)23(31)25-16-18-7-11-28(12-8-18)13-9-20-6-4-14-33-20/h4,6,14-15,18-19H,3,5,7-13,16-17H2,1-2H3,(H,25,31)/t19-/m1/s1.
What are the key properties of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide?
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 93061288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).