N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C22H34N2O3 — CID 55749602

IUPACN-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCCCCOc1cccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C22H34N2O3/c1-5-6-14-27-19-9-7-8-17(15-19)16-23-20(25)18-10-12-24(13-11-18)21(26)22(2,3)4/h7-9,15,18H,5-6,10-14,16H2,1-4H3,(H,23,25)
InChIKeyCQHUTBBZRZJCAE-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.77
Rot. Bonds7

About N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 55749602) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID55749602
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCCCCOc1cccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C22H34N2O3/c1-5-6-14-27-19-9-7-8-17(15-19)16-23-20(25)18-10-12-24(13-11-18)21(26)22(2,3)4/h7-9,15,18H,5-6,10-14,16H2,1-4H3,(H,23,25)
InChIKeyCQHUTBBZRZJCAE-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-butoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284523
methyl 1-[N-[(3-butoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111254611
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
ethyl 1-[N-[(3-butoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155721
1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001
N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348
methyl 1-[N'-methyl-N-[(3-propoxyphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253976
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224404
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 55749602) is N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CCCCOc1cccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CQHUTBBZRZJCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-5-6-14-27-19-9-7-8-17(15-19)16-23-20(25)18-10-12-24(13-11-18)21(26)22(2,3)4/h7-9,15,18H,5-6,10-14,16H2,1-4H3,(H,23,25).
What are the key properties of N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55749602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).