2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C16H25N3O — CID 43556426

IUPAC2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-13-5-3-4-6-14(13)11-18(2)16(20)12-19-9-7-15(17)8-10-19/h3-6,15H,7-12,17H2,1-2H3
InChIKeyDEYDPFYPMKFTOO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.38
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 43556426) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID43556426
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-13-5-3-4-6-14(13)11-18(2)16(20)12-19-9-7-15(17)8-10-19/h3-6,15H,7-12,17H2,1-2H3
InChIKeyDEYDPFYPMKFTOO-UHFFFAOYSA-N
XLogP1.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 119927875
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907420
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129035
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 119923943
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120663847
N-methyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351666

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 43556426) is 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is DEYDPFYPMKFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-5-3-4-6-14(13)11-18(2)16(20)12-19-9-7-15(17)8-10-19/h3-6,15H,7-12,17H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 43556426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).