N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide

C15H22N2O4 — CID 91760543

IUPACN-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2CCCN(CCO)C2)o1
InChIInChI=1S/C15H22N2O4/c1-11-7-13(19)8-14(21-11)15(20)16-9-12-3-2-4-17(10-12)5-6-18/h7-8,12,18H,2-6,9-10H2,1H3,(H,16,20)
InChIKeyWBNAZFCWJRUICD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.38
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide

N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91760543) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91760543
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2CCCN(CCO)C2)o1
InChIInChI=1S/C15H22N2O4/c1-11-7-13(19)8-14(21-11)15(20)16-9-12-3-2-4-17(10-12)5-6-18/h7-8,12,18H,2-6,9-10H2,1H3,(H,16,20)
InChIKeyWBNAZFCWJRUICD-UHFFFAOYSA-N
XLogP0.38
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Methoxy-4-oxopyran-2-yl)methylamino]piperidine-1-carboxylic acid
CID 87452935
(5-Methoxy-4-oxopyran-2-yl)methyl-piperidin-4-ylcarbamic acid
CID 91557481
N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 176596677
5-hydroxy-N-[2-(1-isobutylpiperidin-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide
CID 56706311
5-hydroxy-N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-3-yl}methyl)-4-oxo-4H-pyran-2-carboxamide
CID 56711835
1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 60316030
1-[(5-hydroxy-4-oxopyran-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 60331192
N-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 60331195
N-butyl-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidine-3-carboxamide
CID 60331229
N-hexyl-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidine-3-carboxamide
CID 60331271
tert-butyl N-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 60331533
N-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methyl]butanamide
CID 60331874

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide (CID 91760543) is N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NCC2CCCN(CCO)C2)o1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is WBNAZFCWJRUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-7-13(19)8-14(21-11)15(20)16-9-12-3-2-4-17(10-12)5-6-18/h7-8,12,18H,2-6,9-10H2,1H3,(H,16,20).
What are the key properties of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91760543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).