1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C20H33N5O4 — CID 46381357

IUPAC1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H33N5O4/c1-3-25-17(15-18(26)22(2)20(25)28)24-9-5-16(6-10-24)19(27)21-7-4-8-23-11-13-29-14-12-23/h15-16H,3-14H2,1-2H3,(H,21,27)
InChIKeyGNQHYMUQZZYWOU-UHFFFAOYSA-N
MW407.52 g/mol
LogP-0.38
Rot. Bonds7

About 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 46381357) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID46381357
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H33N5O4/c1-3-25-17(15-18(26)22(2)20(25)28)24-9-5-16(6-10-24)19(27)21-7-4-8-23-11-13-29-14-12-23/h15-16H,3-14H2,1-2H3,(H,21,27)
InChIKeyGNQHYMUQZZYWOU-UHFFFAOYSA-N
XLogP-0.38
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 46381269
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 46381288
N-allyl-1-{3-[(methylsulfonyl)amino]benzoyl}piperidine-3-carboxamide
CID 46381299
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 46381317
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46381363
N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381376
Ethyl 4-[1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)piperidine-4-amido]piperidine-1-carboxylate
CID 46381381
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(2-methoxyethyl)-3-piperidinecarboxamide
CID 53010371
1-Ethyl-3-methyl-6-[3-(4-morpholinylcarbonyl)-1-piperidinyl]-2,4(1H,3H)-pyrimidinedione
CID 53010374
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-(2-methoxyethyl)piperidine-3-carboxamide
CID 53010384
1-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide
CID 53010388

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 46381357) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is CCn1c(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is GNQHYMUQZZYWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-3-25-17(15-18(26)22(2)20(25)28)24-9-5-16(6-10-24)19(27)21-7-4-8-23-11-13-29-14-12-23/h15-16H,3-14H2,1-2H3,(H,21,27).
What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of -0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46381357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).