2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride

C20H32ClN3O2 — CID 120775947

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CN2CCC(N)C(C)(C)C2)C2CC2)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2)13-23(11-10-17(20)21)12-18(24)22-19(14-4-5-14)15-6-8-16(25-3)9-7-15;/h6-9,14,17,19H,4-5,10-13,21H2,1-3H3,(H,22,24);1H
InChIKeyIJGCEEFGGWRKBZ-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 120775947) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID120775947
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CN2CCC(N)C(C)(C)C2)C2CC2)cc1.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-20(2)13-23(11-10-17(20)21)12-18(24)22-19(14-4-5-14)15-6-8-16(25-3)9-7-15;/h6-9,14,17,19H,4-5,10-13,21H2,1-3H3,(H,22,24);1H
InChIKeyIJGCEEFGGWRKBZ-UHFFFAOYSA-N
XLogP2.74
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 86984171
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906984
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
1-[2-(4-methoxyphenyl)propyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781971
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide;hydrochloride
CID 120775645
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 100895743
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(1,2-diphenylethyl)acetamide;hydrochloride
CID 120776374
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877589
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 55523800

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride (CID 120775947) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride is COc1ccc(C(NC(=O)CN2CCC(N)C(C)(C)C2)C2CC2)cc1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is IJGCEEFGGWRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-20(2)13-23(11-10-17(20)21)12-18(24)22-19(14-4-5-14)15-6-8-16(25-3)9-7-15;/h6-9,14,17,19H,4-5,10-13,21H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120775947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).