N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C22H26N4O3 — CID 157018089

IUPACN-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(-c2ccccc2)nc(NC(=O)C2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C22H26N4O3/c1-15-14-18(16-6-3-2-4-7-16)24-22(23-15)25-20(27)17-9-11-26(12-10-17)21(28)19-8-5-13-29-19/h2-4,6-7,14,17,19H,5,8-13H2,1H3,(H,23,24,25,27)
InChIKeyKRHCEEMNFSMVGC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.81
Rot. Bonds4

About N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 157018089) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID157018089
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(-c2ccccc2)nc(NC(=O)C2CCN(C(=O)C3CCCO3)CC2)n1
InChIInChI=1S/C22H26N4O3/c1-15-14-18(16-6-3-2-4-7-16)24-22(23-15)25-20(27)17-9-11-26(12-10-17)21(28)19-8-5-13-29-19/h2-4,6-7,14,17,19H,5,8-13H2,1H3,(H,23,24,25,27)
InChIKeyKRHCEEMNFSMVGC-UHFFFAOYSA-N
XLogP2.81
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008613
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55522948
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 157011393
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125177029
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 157018089) is N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is Cc1cc(-c2ccccc2)nc(NC(=O)C2CCN(C(=O)C3CCCO3)CC2)n1.
What is the InChIKey of N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KRHCEEMNFSMVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-14-18(16-6-3-2-4-7-16)24-22(23-15)25-20(27)17-9-11-26(12-10-17)21(28)19-8-5-13-29-19/h2-4,6-7,14,17,19H,5,8-13H2,1H3,(H,23,24,25,27).
What are the key properties of N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 157018089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).