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

C20H33N5O3 — CID 93061262

IUPAC(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1CCN(CCNC(=O)[C@@H]2CCCN(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)/t16-/m1/s1
InChIKeyWIYFLEGNBBXXKD-MRXNPFEDSA-N
MW391.52 g/mol
LogP0.15
Rot. Bonds5

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

(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 93061262) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID93061262
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1CCN(CCNC(=O)[C@@H]2CCCN(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)/t16-/m1/s1
InChIKeyWIYFLEGNBBXXKD-MRXNPFEDSA-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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Related Compounds

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 46381288
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 46381317
N-cyclohexyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53010365
N-Cyclopropyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-piperidinecarboxamide
CID 53010375
N-Cyclohexyl-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-piperidinecarboxamide
CID 53010379
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[3-(4-morpholinyl)propyl]-3-piperidinecarboxamide
CID 53010383
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)-N-(propan-2-YL)piperidine-3-carboxamide
CID 53010385
3-{1-[(3-fluorophenyl)sulfonyl]piperidin-4-yl}-6-methylquinazolin-4(3H)-one
CID 53010386
6-{5-[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}quinoline
CID 53010387
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide
CID 53010388
5-({3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(2-thienyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
CID 53010393
1-methyl-N-(4-methylphenyl)-5-[4-methyl-5-(pyrrolidin-1-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 53010395

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide (CID 93061262) is (3R)-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 (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is CC1CCN(CCNC(=O)[C@@H]2CCCN(c3cc(=O)n(C)c(=O)n3C)C2)CC1.
What is the InChIKey of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is WIYFLEGNBBXXKD-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide?
(3R)-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 (3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 93061262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).