2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride

C17H28ClN3O — CID 119908955

IUPAC2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCc1ccccc1CC(C)NC(=O)CN1CCC(N)CC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13-5-3-4-6-15(13)11-14(2)19-17(21)12-20-9-7-16(18)8-10-20;/h3-6,14,16H,7-12,18H2,1-2H3,(H,19,21);1H
InChIKeyVKHXJGGJTCOVOW-UHFFFAOYSA-N
MW325.88 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride

2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride (PubChem CID 119908955) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
PubChem CID119908955
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCc1ccccc1CC(C)NC(=O)CN1CCC(N)CC1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13-5-3-4-6-15(13)11-14(2)19-17(21)12-20-9-7-16(18)8-10-20;/h3-6,14,16H,7-12,18H2,1-2H3,(H,19,21);1H
InChIKeyVKHXJGGJTCOVOW-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 119920423
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(cyclopropylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 54862344
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47060824
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-[(2R)-1-(2-methylphenyl)propan-2-yl]acetamide
CID 129448861

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride (CID 119908955) is 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride is Cc1ccccc1CC(C)NC(=O)CN1CCC(N)CC1.Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
The InChIKey is VKHXJGGJTCOVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-13-5-3-4-6-15(13)11-14(2)19-17(21)12-20-9-7-16(18)8-10-20;/h3-6,14,16H,7-12,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride?
2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119908955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).