2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide

C14H21N3O — CID 61297774

IUPAC2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCC(N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-11-4-6-13(7-5-11)16-14(18)10-17-8-2-3-12(15)9-17/h4-7,12H,2-3,8-10,15H2,1H3,(H,16,18)
InChIKeyMXCYYTDNBCGRCM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide

2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 61297774) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID61297774
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCC(N)C2)cc1
InChIInChI=1S/C14H21N3O/c1-11-4-6-13(7-5-11)16-14(18)10-17-8-2-3-12(15)9-17/h4-7,12H,2-3,8-10,15H2,1H3,(H,16,18)
InChIKeyMXCYYTDNBCGRCM-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
2-(3-aminopiperidin-1-yl)-N-(3-iodophenyl)acetamide;hydrochloride
CID 119910140
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide (CID 61297774) is 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCC(N)C2)cc1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is MXCYYTDNBCGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-6-13(7-5-11)16-14(18)10-17-8-2-3-12(15)9-17/h4-7,12H,2-3,8-10,15H2,1H3,(H,16,18).
What are the key properties of 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 61297774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).