N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

C21H34ClN3O2 — CID 119645390

IUPACN-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCNCC1CCN(C(=O)C(NC(=O)c2ccccc2)C(C)CC)CC1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-4-16(3)19(23-20(25)18-9-7-6-8-10-18)21(26)24-13-11-17(12-14-24)15-22-5-2;/h6-10,16-17,19,22H,4-5,11-15H2,1-3H3,(H,23,25);1H
InChIKeyDSRMYZKTVZDLMZ-UHFFFAOYSA-N
MW395.98 g/mol
LogP3.10
Rot. Bonds8

About N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride

N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (PubChem CID 119645390) has the molecular formula C21H34ClN3O2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
PubChem CID119645390
Molecular FormulaC21H34ClN3O2
Molecular Weight395.98 g/mol
Exact Mass395.23
IUPAC NameN-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
SMILESCCNCC1CCN(C(=O)C(NC(=O)c2ccccc2)C(C)CC)CC1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-4-16(3)19(23-20(25)18-9-7-6-8-10-18)21(26)24-13-11-17(12-14-24)15-22-5-2;/h6-10,16-17,19,22H,4-5,11-15H2,1-3H3,(H,23,25);1H
InChIKeyDSRMYZKTVZDLMZ-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875
N-[(2S,3S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119410430
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119645429
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
N-[3-methyl-1-[3-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119489297
N-[(2S,3S)-3-methyl-1-oxo-1-(4-propylpiperazin-1-yl)pentan-2-yl]benzamide
CID 94330160
N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55339430
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119409193
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride (CID 119645390) is N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is CCNCC1CCN(C(=O)C(NC(=O)c2ccccc2)C(C)CC)CC1.Cl.
What is the InChIKey of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
The InChIKey is DSRMYZKTVZDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.ClH/c1-4-16(3)19(23-20(25)18-9-7-6-8-10-18)21(26)24-13-11-17(12-14-24)15-22-5-2;/h6-10,16-17,19,22H,4-5,11-15H2,1-3H3,(H,23,25);1H.
What are the key properties of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride?
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119645390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).