6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide

C21H33N3O2 — CID 39490122

IUPAC6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H33N3O2/c1-18(25)22-14-6-3-5-9-21(26)23(2)17-19-10-12-20(13-11-19)24-15-7-4-8-16-24/h10-13H,3-9,14-17H2,1-2H3,(H,22,25)
InChIKeyIXTOSZMIVOGXGU-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.33
Rot. Bonds9

About 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide

6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide (PubChem CID 39490122) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
PubChem CID39490122
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H33N3O2/c1-18(25)22-14-6-3-5-9-21(26)23(2)17-19-10-12-20(13-11-19)24-15-7-4-8-16-24/h10-13H,3-9,14-17H2,1-2H3,(H,22,25)
InChIKeyIXTOSZMIVOGXGU-UHFFFAOYSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
CID 112791738
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552043
3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 47040746
3,5-dimethyl-N-[2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551977
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 42926849
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 24516673
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide?
The IUPAC name of 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide (CID 39490122) is 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide is CC(=O)NCCCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide?
The InChIKey is IXTOSZMIVOGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18(25)22-14-6-3-5-9-21(26)23(2)17-19-10-12-20(13-11-19)24-15-7-4-8-16-24/h10-13H,3-9,14-17H2,1-2H3,(H,22,25).
What are the key properties of 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide?
6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide has a molecular weight of 359.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide is sourced from PubChem (CID 39490122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).