2-[4-(2-piperidin-1-ylethyl)anilino]butanamide

C17H27N3O — CID 56788823

IUPAC2-[4-(2-piperidin-1-ylethyl)anilino]butanamide
SMILESCCC(Nc1ccc(CCN2CCCCC2)cc1)C(N)=O
InChIInChI=1S/C17H27N3O/c1-2-16(17(18)21)19-15-8-6-14(7-9-15)10-13-20-11-4-3-5-12-20/h6-9,16,19H,2-5,10-13H2,1H3,(H2,18,21)
InChIKeyCGGBXDPZHOEJNK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds7

About 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide

2-[4-(2-piperidin-1-ylethyl)anilino]butanamide (PubChem CID 56788823) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethyl)anilino]butanamide
PubChem CID56788823
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(2-piperidin-1-ylethyl)anilino]butanamide
SMILESCCC(Nc1ccc(CCN2CCCCC2)cc1)C(N)=O
InChIInChI=1S/C17H27N3O/c1-2-16(17(18)21)19-15-8-6-14(7-9-15)10-13-20-11-4-3-5-12-20/h6-9,16,19H,2-5,10-13H2,1H3,(H2,18,21)
InChIKeyCGGBXDPZHOEJNK-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate
CID 117444428
2-(4-methoxyanilino)butanamide
CID 61005469
N-[4-(2-piperidin-1-ylethyl)phenyl]formamide
CID 168653068
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
2-amino-3-phenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]propanamide
CID 119862104
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
1-[2-[4-(2-ethylbutanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
CID 82260370
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide?
The IUPAC name of 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide (CID 56788823) is 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide is CCC(Nc1ccc(CCN2CCCCC2)cc1)C(N)=O.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide?
The InChIKey is CGGBXDPZHOEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-16(17(18)21)19-15-8-6-14(7-9-15)10-13-20-11-4-3-5-12-20/h6-9,16,19H,2-5,10-13H2,1H3,(H2,18,21).
What are the key properties of 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide?
2-[4-(2-piperidin-1-ylethyl)anilino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethyl)anilino]butanamide is sourced from PubChem (CID 56788823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).