1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide

C17H25N3O3 — CID 51171015

IUPAC1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN(C)CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-19(11-13-3-5-15(23-2)6-4-13)12-16(21)20-9-7-14(8-10-20)17(18)22/h3-6,14H,7-12H2,1-2H3,(H2,18,22)
InChIKeyVGVDQLDJFKCXBI-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.85
Rot. Bonds6

About 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide

1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide (PubChem CID 51171015) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
PubChem CID51171015
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN(C)CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-19(11-13-3-5-15(23-2)6-4-13)12-16(21)20-9-7-14(8-10-20)17(18)22/h3-6,14H,7-12H2,1-2H3,(H2,18,22)
InChIKeyVGVDQLDJFKCXBI-UHFFFAOYSA-N
XLogP0.85
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
CID 126014254
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 92615506
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 78787606
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 8760904
1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 8793275
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094
N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113163030
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
CID 43458262
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide (CID 51171015) is 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide is COc1ccc(CN(C)CC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is VGVDQLDJFKCXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-19(11-13-3-5-15(23-2)6-4-13)12-16(21)20-9-7-14(8-10-20)17(18)22/h3-6,14H,7-12H2,1-2H3,(H2,18,22).
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide?
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 51171015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).