N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide

C17H24N2O3 — CID 87024119

IUPACN-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
SMILESCOC(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(22-2)17(21)19-10-8-15(9-11-19)16(20)18-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)
InChIKeyDTUCIYPUVISYHE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.58
Rot. Bonds5

About N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide

N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide (PubChem CID 87024119) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
PubChem CID87024119
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
SMILESCOC(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(22-2)17(21)19-10-8-15(9-11-19)16(20)18-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20)
InChIKeyDTUCIYPUVISYHE-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 51958452
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 86888388
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
1-(2-amino-4-methylsulfanylbutanoyl)-N-benzylpiperidine-4-carboxamide
CID 119273087
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-[(4-fluorophenyl)methyl]-1-(2-methyl-3-phenylsulfanylpropanoyl)piperidine-4-carboxamide
CID 86935077
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide (CID 87024119) is N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide is COC(C)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is DTUCIYPUVISYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(22-2)17(21)19-10-8-15(9-11-19)16(20)18-12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide?
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 87024119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).