N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide

C18H28N2O — CID 69182329

IUPACN-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-6-18(21)19-12-11-16-7-9-17(10-8-16)15-20-13-4-3-5-14-20/h7-10H,2-6,11-15H2,1H3,(H,19,21)
InChIKeyXAKBILDEWOPSRA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide

N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide (PubChem CID 69182329) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
PubChem CID69182329
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-6-18(21)19-12-11-16-7-9-17(10-8-16)15-20-13-4-3-5-14-20/h7-10H,2-6,11-15H2,1H3,(H,19,21)
InChIKeyXAKBILDEWOPSRA-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
CID 123375850
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide?
The IUPAC name of N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide (CID 69182329) is N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide?
The canonical SMILES for N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide is CCCC(=O)NCCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide?
The InChIKey is XAKBILDEWOPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-6-18(21)19-12-11-16-7-9-17(10-8-16)15-20-13-4-3-5-14-20/h7-10H,2-6,11-15H2,1H3,(H,19,21).
What are the key properties of N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide?
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 69182329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).