N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide

C18H26N2O3 — CID 110819864

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)17(22)20-10-8-14(9-11-20)19-16(21)13-6-5-7-15(12-13)23-4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21)
InChIKeyGAMYSGZOGCRPME-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 110819864) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID110819864
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)17(22)20-10-8-14(9-11-20)19-16(21)13-6-5-7-15(12-13)23-4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21)
InChIKeyGAMYSGZOGCRPME-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide (CID 110819864) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is GAMYSGZOGCRPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)17(22)20-10-8-14(9-11-20)19-16(21)13-6-5-7-15(12-13)23-4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 318.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 110819864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).