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

C24H38N2O4 — CID 46469909

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C24H38N2O4/c1-6-7-8-9-16-30-20-11-10-18(17-21(20)29-5)22(27)25-19-12-14-26(15-13-19)23(28)24(2,3)4/h10-11,17,19H,6-9,12-16H2,1-5H3,(H,25,27)
InChIKeyITAZCJYPGWMPHA-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.42
Rot. Bonds9

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

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide (PubChem CID 46469909) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
PubChem CID46469909
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C24H38N2O4/c1-6-7-8-9-16-30-20-11-10-18(17-21(20)29-5)22(27)25-19-12-14-26(15-13-19)23(28)24(2,3)4/h10-11,17,19H,6-9,12-16H2,1-5H3,(H,25,27)
InChIKeyITAZCJYPGWMPHA-UHFFFAOYSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611540
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611533
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 34424345
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide (CID 46469909) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide is CCCCCCOc1ccc(C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1OC.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide?
The InChIKey is ITAZCJYPGWMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-6-7-8-9-16-30-20-11-10-18(17-21(20)29-5)22(27)25-19-12-14-26(15-13-19)23(28)24(2,3)4/h10-11,17,19H,6-9,12-16H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide has a molecular weight of 418.58 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide is sourced from PubChem (CID 46469909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).