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

C17H20N4O2 — CID 119340018

IUPACN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide
SMILESCc1ccnc(Oc2ccc(NC(=O)C3CCCCN3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-9-11-19-17(20-12)23-14-7-5-13(6-8-14)21-16(22)15-4-2-3-10-18-15/h5-9,11,15,18H,2-4,10H2,1H3,(H,21,22)
InChIKeyCCNILFZBYWRSDI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.66
Rot. Bonds4

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

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide (PubChem CID 119340018) 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-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide
PubChem CID119340018
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide
SMILESCc1ccnc(Oc2ccc(NC(=O)C3CCCCN3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-9-11-19-17(20-12)23-14-7-5-13(6-8-14)21-16(22)15-4-2-3-10-18-15/h5-9,11,15,18H,2-4,10H2,1H3,(H,21,22)
InChIKeyCCNILFZBYWRSDI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812384
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide (CID 119340018) is N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide is Cc1ccnc(Oc2ccc(NC(=O)C3CCCCN3)cc2)n1.
What is the InChIKey of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide?
The InChIKey is CCNILFZBYWRSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-9-11-19-17(20-12)23-14-7-5-13(6-8-14)21-16(22)15-4-2-3-10-18-15/h5-9,11,15,18H,2-4,10H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide?
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.66, 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-2-carboxamide is sourced from PubChem (CID 119340018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).