N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C18H25N3O4 — CID 157011393

IUPACN-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(=O)[nH]c(C)c1NC(=O)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H25N3O4/c1-11-10-15(22)19-12(2)16(11)20-17(23)13-5-7-21(8-6-13)18(24)14-4-3-9-25-14/h10,13-14H,3-9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYZGOFXBICIOVNU-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.35
Rot. Bonds3

About N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 157011393) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID157011393
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(=O)[nH]c(C)c1NC(=O)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H25N3O4/c1-11-10-15(22)19-12(2)16(11)20-17(23)13-5-7-21(8-6-13)18(24)14-4-3-9-25-14/h10,13-14H,3-9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYZGOFXBICIOVNU-UHFFFAOYSA-N
XLogP1.35
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
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
N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 157018089
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 157011393) is N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is Cc1cc(=O)[nH]c(C)c1NC(=O)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is YZGOFXBICIOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-10-15(22)19-12(2)16(11)20-17(23)13-5-7-21(8-6-13)18(24)14-4-3-9-25-14/h10,13-14H,3-9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 157011393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).