2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide

C22H27N3O3 — CID 47920766

IUPAC2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
SMILESNC(=O)COc1ccccc1C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c23-21(26)16-28-20-9-5-4-8-19(20)22(27)24-14-17-10-12-25(13-11-17)15-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H2,23,26)(H,24,27)
InChIKeyWQUAVFUWHAFFBA-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.19
Rot. Bonds8

About 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide

2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide (PubChem CID 47920766) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
PubChem CID47920766
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
SMILESNC(=O)COc1ccccc1C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c23-21(26)16-28-20-9-5-4-8-19(20)22(27)24-14-17-10-12-25(13-11-17)15-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H2,23,26)(H,24,27)
InChIKeyWQUAVFUWHAFFBA-UHFFFAOYSA-N
XLogP2.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55479799
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
2-[4-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 63251014
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 46441531
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide (CID 47920766) is 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide is NC(=O)COc1ccccc1C(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide?
The InChIKey is WQUAVFUWHAFFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c23-21(26)16-28-20-9-5-4-8-19(20)22(27)24-14-17-10-12-25(13-11-17)15-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H2,23,26)(H,24,27).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide?
2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 47920766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).