4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride

C18H29ClN4O2 — CID 120775335

IUPAC4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-18(2)12-22(10-9-15(18)19)11-16(23)20-14-7-5-13(6-8-14)17(24)21(3)4;/h5-8,15H,9-12,19H2,1-4H3,(H,20,23);1H
InChIKeyHBOJWEXYLBOLAX-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.81
Rot. Bonds4

About 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride

4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120775335) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
PubChem CID120775335
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-18(2)12-22(10-9-15(18)19)11-16(23)20-14-7-5-13(6-8-14)17(24)21(3)4;/h5-8,15H,9-12,19H2,1-4H3,(H,20,23);1H
InChIKeyHBOJWEXYLBOLAX-UHFFFAOYSA-N
XLogP1.81
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 120776678
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775379
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120776425
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 120775993
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
ethyl 1-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931262
4-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8904118
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)propanamide;hydrochloride
CID 120774162
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(cyclopropylmethyl)acetamide;hydrochloride
CID 120774150
4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 51170483
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide;hydrochloride
CID 120774927

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride (CID 120775335) is 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1ccc(NC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is HBOJWEXYLBOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-18(2)12-22(10-9-15(18)19)11-16(23)20-14-7-5-13(6-8-14)17(24)21(3)4;/h5-8,15H,9-12,19H2,1-4H3,(H,20,23);1H.
What are the key properties of 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride?
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120775335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).