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

C21H35N5O3 — CID 46381316

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)C1
InChIInChI=1S/C21H35N5O3/c1-16-6-4-10-25(15-16)11-5-9-22-20(28)17-7-12-26(13-8-17)18-14-19(27)24(3)21(29)23(18)2/h14,16-17H,4-13,15H2,1-3H3,(H,22,28)
InChIKeyLAVFMVOZFGJJDQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP0.54
Rot. Bonds6

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

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 46381316) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID46381316
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCC1CCCN(CCCNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)C1
InChIInChI=1S/C21H35N5O3/c1-16-6-4-10-25(15-16)11-5-9-22-20(28)17-7-12-26(13-8-17)18-14-19(27)24(3)21(29)23(18)2/h14,16-17H,4-13,15H2,1-3H3,(H,22,28)
InChIKeyLAVFMVOZFGJJDQ-UHFFFAOYSA-N
XLogP0.54
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 46381357
N-cycloheptyl-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381364
6-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-1-ethyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 20972443
N-cyclohexyl-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381250
1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 46381269
N-cycloheptyl-1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381274
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
N-cyclopentyl-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
CID 46381307
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-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidine-4-carboxamide
CID 46381348
1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46381363

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 46381316) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is CC1CCCN(CCCNC(=O)C2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)C1.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is LAVFMVOZFGJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-16-6-4-10-25(15-16)11-5-9-22-20(28)17-7-12-26(13-8-17)18-14-19(27)24(3)21(29)23(18)2/h14,16-17H,4-13,15H2,1-3H3,(H,22,28).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46381316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).