2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide

C22H28N4O2 — CID 42670318

IUPAC2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCC3CCCO3)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H28N4O2/c1-16-7-9-17(10-8-16)20-23-15-19(21(25-20)26-11-3-2-4-12-26)22(27)24-14-18-6-5-13-28-18/h7-10,15,18H,2-6,11-14H2,1H3,(H,24,27)
InChIKeyXURDZJYGWYYLPM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide

2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 42670318) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID42670318
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCC3CCCO3)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H28N4O2/c1-16-7-9-17(10-8-16)20-23-15-19(21(25-20)26-11-3-2-4-12-26)22(27)24-14-18-6-5-13-28-18/h7-10,15,18H,2-6,11-14H2,1H3,(H,24,27)
InChIKeyXURDZJYGWYYLPM-UHFFFAOYSA-N
XLogP3.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42670044
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
N-(2-methoxyethyl)-2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 42670340
N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
4-(3,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42821004
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 95092282
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide (CID 42670318) is 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)NCC3CCCO3)c(N3CCCCC3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is XURDZJYGWYYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-7-9-17(10-8-16)20-23-15-19(21(25-20)26-11-3-2-4-12-26)22(27)24-14-18-6-5-13-28-18/h7-10,15,18H,2-6,11-14H2,1H3,(H,24,27).
What are the key properties of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide?
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42670318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).