1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C16H27N5O2 — CID 53165547

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C16H27N5O2/c1-20(2)15-14(11-17-12-19-15)21-8-5-13(6-9-21)16(22)18-7-4-10-23-3/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyPJPJUMZAPUFADQ-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.91
Rot. Bonds7

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 53165547) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID53165547
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C16H27N5O2/c1-20(2)15-14(11-17-12-19-15)21-8-5-13(6-9-21)16(22)18-7-4-10-23-3/h11-13H,4-10H2,1-3H3,(H,18,22)
InChIKeyPJPJUMZAPUFADQ-UHFFFAOYSA-N
XLogP0.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 53165547) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2cncnc2N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is PJPJUMZAPUFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-20(2)15-14(11-17-12-19-15)21-8-5-13(6-9-21)16(22)18-7-4-10-23-3/h11-13H,4-10H2,1-3H3,(H,18,22).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53165547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).