N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide

C18H27N3O3 — CID 119692938

IUPACN-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
SMILESCOCCNCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-24-12-9-19-14-17(22)21-10-7-16(8-11-21)18(23)20-13-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,20,23)
InChIKeySRMGVETVAQNBFS-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.78
Rot. Bonds8

About N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide

N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide (PubChem CID 119692938) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
PubChem CID119692938
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
SMILESCOCCNCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-24-12-9-19-14-17(22)21-10-7-16(8-11-21)18(23)20-13-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,20,23)
InChIKeySRMGVETVAQNBFS-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
N-benzyl-1-[2-[(4-tert-butylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 46655762
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119805743
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119724483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide (CID 119692938) is N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide is COCCNCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide?
The InChIKey is SRMGVETVAQNBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-12-9-19-14-17(22)21-10-7-16(8-11-21)18(23)20-13-15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3,(H,20,23).
What are the key properties of N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide?
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 119692938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).