N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide

C17H25N3O3 — CID 119283191

IUPACN-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)16(21)12-23-14-7-5-6-13(10-14)11-19-17(22)15-8-3-4-9-18-15/h5-7,10,15,18H,3-4,8-9,11-12H2,1-2H3,(H,19,22)
InChIKeyAPMZCCRQOZCDMB-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.91
Rot. Bonds6

About N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide

N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide (PubChem CID 119283191) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
PubChem CID119283191
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C17H25N3O3/c1-20(2)16(21)12-23-14-7-5-6-13(10-14)11-19-17(22)15-8-3-4-9-18-15/h5-7,10,15,18H,3-4,8-9,11-12H2,1-2H3,(H,19,22)
InChIKeyAPMZCCRQOZCDMB-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[(piperidine-2-carbonylamino)methyl]phenoxy]acetate
CID 119325625
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
2-[3-[[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111609110
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide (CID 119283191) is N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide is CN(C)C(=O)COc1cccc(CNC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is APMZCCRQOZCDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(2)16(21)12-23-14-7-5-6-13(10-14)11-19-17(22)15-8-3-4-9-18-15/h5-7,10,15,18H,3-4,8-9,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide?
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119283191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).