1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H27N5O2 — CID 53165529

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C20H27N5O2/c1-24(2)19-17(13-21-14-23-19)25-10-8-15(9-11-25)20(26)22-12-16-6-4-5-7-18(16)27-3/h4-7,13-15H,8-12H2,1-3H3,(H,22,26)
InChIKeyGVWZPEKBOJLWGD-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.08
Rot. Bonds6

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

1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53165529) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID53165529
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C20H27N5O2/c1-24(2)19-17(13-21-14-23-19)25-10-8-15(9-11-25)20(26)22-12-16-6-4-5-7-18(16)27-3/h4-7,13-15H,8-12H2,1-3H3,(H,22,26)
InChIKeyGVWZPEKBOJLWGD-UHFFFAOYSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.08
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-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 53165529) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2cncnc2N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GVWZPEKBOJLWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(2)19-17(13-21-14-23-19)25-10-8-15(9-11-25)20(26)22-12-16-6-4-5-7-18(16)27-3/h4-7,13-15H,8-12H2,1-3H3,(H,22,26).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.08, 6 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-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53165529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).