3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide

C21H28N2O3 — CID 42213549

IUPAC3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCOCc1ccc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C21H28N2O3/c1-25-16-20-9-8-19(26-20)15-23-13-11-17(12-14-23)7-10-21(24)22-18-5-3-2-4-6-18/h2-6,8-9,17H,7,10-16H2,1H3,(H,22,24)
InChIKeyZGYLHNAJRQGFKP-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.06
Rot. Bonds8

About 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide

3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 42213549) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID42213549
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESCOCc1ccc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C21H28N2O3/c1-25-16-20-9-8-19(26-20)15-23-13-11-17(12-14-23)7-10-21(24)22-18-5-3-2-4-6-18/h2-6,8-9,17H,7,10-16H2,1H3,(H,22,24)
InChIKeyZGYLHNAJRQGFKP-UHFFFAOYSA-N
XLogP4.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide
CID 42526997
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218058
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26396661
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
N-[4-(methoxymethyl)phenyl]-3-piperidin-4-ylpropanamide
CID 175746452
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide (CID 42213549) is 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is COCc1ccc(CN2CCC(CCC(=O)Nc3ccccc3)CC2)o1.
What is the InChIKey of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is ZGYLHNAJRQGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-16-20-9-8-19(26-20)15-23-13-11-17(12-14-23)7-10-21(24)22-18-5-3-2-4-6-18/h2-6,8-9,17H,7,10-16H2,1H3,(H,22,24).
What are the key properties of 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide?
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 42213549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).