3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide

C18H27N3O2 — CID 54815187

IUPAC3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14(2)12-17(22)19-15-6-8-16(9-7-15)20-18(23)13-21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVZTMOEXEBJJVLB-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.10
Rot. Bonds6

About 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide

3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide (PubChem CID 54815187) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
PubChem CID54815187
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14(2)12-17(22)19-15-6-8-16(9-7-15)20-18(23)13-21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVZTMOEXEBJJVLB-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-[1-(4-hydroxyphenyl)ethyl]phenyl]-2-piperidin-1-ylacetamide
CID 145430137
3-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylbutanamide;dihydrochloride
CID 120502947
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-piperidin-1-ylacetamide
CID 51686284
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide (CID 54815187) is 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide?
The InChIKey is VZTMOEXEBJJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)12-17(22)19-15-6-8-16(9-7-15)20-18(23)13-21-10-4-3-5-11-21/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide?
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide has a molecular weight of 317.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 54815187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).