N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride

C20H32ClN3O2 — CID 119397904

IUPACN-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2,3)14-22-18(24)16-7-9-17(10-8-16)19(25)23-11-5-6-15(13-23)12-21-4;/h7-10,15,21H,5-6,11-14H2,1-4H3,(H,22,24);1H
InChIKeyQLGNMLPRBPGYAE-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.96
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride

N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride (PubChem CID 119397904) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
PubChem CID119397904
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
SMILESCNCC1CCCN(C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2,3)14-22-18(24)16-7-9-17(10-8-16)19(25)23-11-5-6-15(13-23)12-21-4;/h7-10,15,21H,5-6,11-14H2,1-4H3,(H,22,24);1H
InChIKeyQLGNMLPRBPGYAE-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2,2-dimethylpropyl)benzamide
CID 119412429
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
[3-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 119397113
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119398891
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride (CID 119397904) is N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride is CNCC1CCCN(C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)C1.Cl.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is QLGNMLPRBPGYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-20(2,3)14-22-18(24)16-7-9-17(10-8-16)19(25)23-11-5-6-15(13-23)12-21-4;/h7-10,15,21H,5-6,11-14H2,1-4H3,(H,22,24);1H.
What are the key properties of N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 119397904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).