2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide

C20H34N6O — CID 53189373

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCN3CCCCC3)CC2)n1
InChIInChI=1S/C20H34N6O/c1-21-20-23-10-6-18(24-20)26-14-7-17(8-15-26)16-19(27)22-9-5-13-25-11-3-2-4-12-25/h6,10,17H,2-5,7-9,11-16H2,1H3,(H,22,27)(H,21,23,24)
InChIKeyLESMBQYVYSDTNM-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.12
Rot. Bonds8

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 53189373) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID53189373
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCNc1nccc(N2CCC(CC(=O)NCCCN3CCCCC3)CC2)n1
InChIInChI=1S/C20H34N6O/c1-21-20-23-10-6-18(24-20)26-14-7-17(8-15-26)16-19(27)22-9-5-13-25-11-3-2-4-12-25/h6,10,17H,2-5,7-9,11-16H2,1H3,(H,22,27)(H,21,23,24)
InChIKeyLESMBQYVYSDTNM-UHFFFAOYSA-N
XLogP2.12
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Gepirone
CID 55191
Gepirone monohydrochloride
CID 55190
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162669973
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
Piperidino[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170406
(4-Methylpiperidin-1-yl)-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133534377

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide (CID 53189373) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide is CNc1nccc(N2CCC(CC(=O)NCCCN3CCCCC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is LESMBQYVYSDTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-21-20-23-10-6-18(24-20)26-14-7-17(8-15-26)16-19(27)22-9-5-13-25-11-3-2-4-12-25/h6,10,17H,2-5,7-9,11-16H2,1H3,(H,22,27)(H,21,23,24).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 374.53 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 53189373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).