N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide

C24H38N2O3 — CID 55862941

IUPACN-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C(C)Oc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C24H38N2O3/c1-7-8-14-25(6)23(28)19-12-15-26(16-13-19)22(27)18(2)29-21-11-9-10-20(17-21)24(3,4)5/h9-11,17-19H,7-8,12-16H2,1-6H3
InChIKeyPXLHQNKGSUGFLY-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.25
Rot. Bonds7

About N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55862941) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID55862941
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C(C)Oc2cccc(C(C)(C)C)c2)CC1
InChIInChI=1S/C24H38N2O3/c1-7-8-14-25(6)23(28)19-12-15-26(16-13-19)22(27)18(2)29-21-11-9-10-20(17-21)24(3,4)5/h9-11,17-19H,7-8,12-16H2,1-6H3
InChIKeyPXLHQNKGSUGFLY-UHFFFAOYSA-N
XLogP4.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylphenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 111434084
2-(3-tert-butylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119622835
(3S)-1-[2-(3-tert-butylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119174186
N-butyl-1-[2-(2-chlorophenyl)sulfanylpropanoyl]-N-methylpiperidine-4-carboxamide
CID 55949392
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
1-[2-[(3-bromobenzoyl)amino]acetyl]-N-butyl-N-methylpiperidine-4-carboxamide
CID 55860378
(2S)-2-(4-tert-butylphenoxy)-1-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213549
(2R)-2-(4-tert-butylphenoxy)-1-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213552
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
2-(3-tert-butylphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119649746

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide (CID 55862941) is N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C(C)Oc2cccc(C(C)(C)C)c2)CC1.
What is the InChIKey of N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PXLHQNKGSUGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-7-8-14-25(6)23(28)19-12-15-26(16-13-19)22(27)18(2)29-21-11-9-10-20(17-21)24(3,4)5/h9-11,17-19H,7-8,12-16H2,1-6H3.
What are the key properties of N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(3-tert-butylphenoxy)propanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55862941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).