N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide

C18H26N2O3 — CID 110820567

IUPACN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)12-17(21)19-15-8-10-20(11-9-15)18(22)14-4-6-16(23-3)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,19,21)
InChIKeyLIGYRWFORYUEQX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds5

About N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 110820567) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID110820567
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)CC(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)12-17(21)19-15-8-10-20(11-9-15)18(22)14-4-6-16(23-3)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,19,21)
InChIKeyLIGYRWFORYUEQX-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822989
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
CID 108549524
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide (CID 110820567) is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide is COc1ccc(C(=O)N2CCC(NC(=O)CC(C)C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is LIGYRWFORYUEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)12-17(21)19-15-8-10-20(11-9-15)18(22)14-4-6-16(23-3)7-5-14/h4-7,13,15H,8-12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 318.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 110820567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).