2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide

C17H25N3O — CID 63847086

IUPAC2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCCC(CNC2CC2)C1)Nc1ccccc1
InChIInChI=1S/C17H25N3O/c21-17(19-16-6-2-1-3-7-16)13-20-10-4-5-14(12-20)11-18-15-8-9-15/h1-3,6-7,14-15,18H,4-5,8-13H2,(H,19,21)
InChIKeyDYMKHVUDTGDDID-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.09
Rot. Bonds6

About 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide

2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide (PubChem CID 63847086) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
PubChem CID63847086
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCCC(CNC2CC2)C1)Nc1ccccc1
InChIInChI=1S/C17H25N3O/c21-17(19-16-6-2-1-3-7-16)13-20-10-4-5-14(12-20)11-18-15-8-9-15/h1-3,6-7,14-15,18H,4-5,8-13H2,(H,19,21)
InChIKeyDYMKHVUDTGDDID-UHFFFAOYSA-N
XLogP2.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
2-[1-(2-anilino-2-oxoethyl)pyrrolidin-3-yl]acetamide
CID 19705544
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide (CID 63847086) is 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCCC(CNC2CC2)C1)Nc1ccccc1.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is DYMKHVUDTGDDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-16-6-2-1-3-7-16)13-20-10-4-5-14(12-20)11-18-15-8-9-15/h1-3,6-7,14-15,18H,4-5,8-13H2,(H,19,21).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide?
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 287.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 63847086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).