N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide

C17H20N4O2 — CID 119340024

IUPACN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
SMILESCc1ccnc(Oc2ccc(NC(=O)C3CCNCC3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-6-11-19-17(20-12)23-15-4-2-14(3-5-15)21-16(22)13-7-9-18-10-8-13/h2-6,11,13,18H,7-10H2,1H3,(H,21,22)
InChIKeyXWXISRWGMUUIHI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.52
Rot. Bonds4

About N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide (PubChem CID 119340024) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
PubChem CID119340024
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
SMILESCc1ccnc(Oc2ccc(NC(=O)C3CCNCC3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-6-11-19-17(20-12)23-15-4-2-14(3-5-15)21-16(22)13-7-9-18-10-8-13/h2-6,11,13,18H,7-10H2,1H3,(H,21,22)
InChIKeyXWXISRWGMUUIHI-UHFFFAOYSA-N
XLogP2.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide
CID 119340018
N-[4-(4-methylpyrimidin-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119327335
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812384
N-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]cyclopentanecarboxamide
CID 92601905
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
CID 119340030
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119864102
N-[4-(3-methylsulfonylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119331518
(3aS,6aR)-2-[[4-(4-methylpyrimidin-2-yl)oxyphenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086494
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide (CID 119340024) is N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide is Cc1ccnc(Oc2ccc(NC(=O)C3CCNCC3)cc2)n1.
What is the InChIKey of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide?
The InChIKey is XWXISRWGMUUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-6-11-19-17(20-12)23-15-4-2-14(3-5-15)21-16(22)13-7-9-18-10-8-13/h2-6,11,13,18H,7-10H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide?
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119340024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).