N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide

C19H24N4O2 — CID 122299799

IUPACN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
SMILESCC1CCN(c2ncc(NC(=O)COCc3ccccc3)cn2)CC1
InChIInChI=1S/C19H24N4O2/c1-15-7-9-23(10-8-15)19-20-11-17(12-21-19)22-18(24)14-25-13-16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,24)
InChIKeySZIGQCMQKCBGED-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide (PubChem CID 122299799) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
PubChem CID122299799
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
SMILESCC1CCN(c2ncc(NC(=O)COCc3ccccc3)cn2)CC1
InChIInChI=1S/C19H24N4O2/c1-15-7-9-23(10-8-15)19-20-11-17(12-21-19)22-18(24)14-25-13-16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,24)
InChIKeySZIGQCMQKCBGED-UHFFFAOYSA-N
XLogP2.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide (CID 122299799) is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide is CC1CCN(c2ncc(NC(=O)COCc3ccccc3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide?
The InChIKey is SZIGQCMQKCBGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-7-9-23(10-8-15)19-20-11-17(12-21-19)22-18(24)14-25-13-16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide?
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide has a molecular weight of 340.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 122299799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).