N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide

C21H33N3O2 — CID 167972606

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NCC2CCN(C(C)=O)CC2)cc1)C(C)C
InChIInChI=1S/C21H33N3O2/c1-5-23(16(2)3)15-19-6-8-20(9-7-19)21(26)22-14-18-10-12-24(13-11-18)17(4)25/h6-9,16,18H,5,10-15H2,1-4H3,(H,22,26)
InChIKeyHMVWOBHOWGJGNC-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.91
Rot. Bonds7

About N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide

N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide (PubChem CID 167972606) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
PubChem CID167972606
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NCC2CCN(C(C)=O)CC2)cc1)C(C)C
InChIInChI=1S/C21H33N3O2/c1-5-23(16(2)3)15-19-6-8-20(9-7-19)21(26)22-14-18-10-12-24(13-11-18)17(4)25/h6-9,16,18H,5,10-15H2,1-4H3,(H,22,26)
InChIKeyHMVWOBHOWGJGNC-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459679
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023199
4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
CID 110198056
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557132
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 94822687
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[3-(methoxymethyl)azetidin-1-yl]methanone
CID 126834637
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
4-[[[4-(1-nitrosoethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91480032

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide (CID 167972606) is N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide is CCN(Cc1ccc(C(=O)NCC2CCN(C(C)=O)CC2)cc1)C(C)C.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
The InChIKey is HMVWOBHOWGJGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-23(16(2)3)15-19-6-8-20(9-7-19)21(26)22-14-18-10-12-24(13-11-18)17(4)25/h6-9,16,18H,5,10-15H2,1-4H3,(H,22,26).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide has a molecular weight of 359.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 167972606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).