1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide

C17H25N3O3 — CID 74246457

IUPAC1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCCN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H25N3O3/c1-23-12-13-4-6-14(7-5-13)17(22)19-8-10-20-9-2-3-15(11-20)16(18)21/h4-7,15H,2-3,8-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyOHDMLIOMAPTXCJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.76
Rot. Bonds7

About 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide

1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 74246457) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
PubChem CID74246457
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCCN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H25N3O3/c1-23-12-13-4-6-14(7-5-13)17(22)19-8-10-20-9-2-3-15(11-20)16(18)21/h4-7,15H,2-3,8-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyOHDMLIOMAPTXCJ-UHFFFAOYSA-N
XLogP0.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
4-[[[2-amino-4-[4-(2-methoxyethyl)piperazin-1-yl]butanoyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 167761876
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
1-[3-[[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propyl]piperidine-3-carboxamide
CID 56547862

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide (CID 74246457) is 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide is COCc1ccc(C(=O)NCCN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is OHDMLIOMAPTXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-12-13-4-6-14(7-5-13)17(22)19-8-10-20-9-2-3-15(11-20)16(18)21/h4-7,15H,2-3,8-12H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 74246457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).