2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride

C21H36ClN3O — CID 120775645

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)NC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C21H35N3O.ClH/c1-15(2)12-17-6-8-18(9-7-17)16(3)23-20(25)13-24-11-10-19(22)21(4,5)14-24;/h6-9,15-16,19H,10-14,22H2,1-5H3,(H,23,25);1H
InChIKeyNXCAIILVBCZCLX-UHFFFAOYSA-N
MW381.99 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 120775645) has the molecular formula C21H36ClN3O and a molecular weight of 381.99 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID120775645
Molecular FormulaC21H36ClN3O
Molecular Weight381.99 g/mol
Exact Mass381.25
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)NC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C21H35N3O.ClH/c1-15(2)12-17-6-8-18(9-7-17)16(3)23-20(25)13-24-11-10-19(22)21(4,5)14-24;/h6-9,15-16,19H,10-14,22H2,1-5H3,(H,23,25);1H
InChIKeyNXCAIILVBCZCLX-UHFFFAOYSA-N
XLogP3.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.99
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
CID 120776374
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120775947
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557005
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 120776497
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 120775231
2-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 102563603
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide;hydrochloride
CID 120775821

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride (CID 120775645) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride is CC(C)Cc1ccc(C(C)NC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is NXCAIILVBCZCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.ClH/c1-15(2)12-17-6-8-18(9-7-17)16(3)23-20(25)13-24-11-10-19(22)21(4,5)14-24;/h6-9,15-16,19H,10-14,22H2,1-5H3,(H,23,25);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 381.99 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120775645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).