N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide

C19H25N5O — CID 162626102

IUPACN-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1
InChIInChI=1S/C19H25N5O/c1-14(25)21-16-9-12-24(13-10-16)19-20-11-8-18(22-19)15-4-6-17(7-5-15)23(2)3/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,21,25)
InChIKeyYEUGKXITEDSICN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.31
Rot. Bonds4

About N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide

N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 162626102) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID162626102
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1
InChIInChI=1S/C19H25N5O/c1-14(25)21-16-9-12-24(13-10-16)19-20-11-8-18(22-19)15-4-6-17(7-5-15)23(2)3/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,21,25)
InChIKeyYEUGKXITEDSICN-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 162626102) is N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1.
What is the InChIKey of N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is YEUGKXITEDSICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(25)21-16-9-12-24(13-10-16)19-20-11-8-18(22-19)15-4-6-17(7-5-15)23(2)3/h4-8,11,16H,9-10,12-13H2,1-3H3,(H,21,25).
What are the key properties of N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide?
N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 162626102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).