1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C17H27N5O2 — CID 53165526

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H27N5O2/c1-21(2)16-15(11-18-12-20-16)22-7-5-13(6-8-22)17(23)19-10-14-4-3-9-24-14/h11-14H,3-10H2,1-2H3,(H,19,23)
InChIKeyDKVKCTYMPRYHTQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.05
Rot. Bonds5

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 53165526) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID53165526
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCN(C)c1ncncc1N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H27N5O2/c1-21(2)16-15(11-18-12-20-16)22-7-5-13(6-8-22)17(23)19-10-14-4-3-9-24-14/h11-14H,3-10H2,1-2H3,(H,19,23)
InChIKeyDKVKCTYMPRYHTQ-UHFFFAOYSA-N
XLogP1.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 53165526) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CN(C)c1ncncc1N1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DKVKCTYMPRYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-21(2)16-15(11-18-12-20-16)22-7-5-13(6-8-22)17(23)19-10-14-4-3-9-24-14/h11-14H,3-10H2,1-2H3,(H,19,23).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.05, 5 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-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53165526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).