6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide

C22H35N3O2 — CID 47036113

IUPAC6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C22H35N3O2/c1-18-8-5-7-15-25(18)17-21-12-10-20(11-13-21)16-24-22(27)9-4-3-6-14-23-19(2)26/h10-13,18H,3-9,14-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQDLQXHZCDKYBTN-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.37
Rot. Bonds10

About 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide

6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide (PubChem CID 47036113) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
PubChem CID47036113
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCc1ccc(CN2CCCCC2C)cc1
InChIInChI=1S/C22H35N3O2/c1-18-8-5-7-15-25(18)17-21-12-10-20(11-13-21)16-24-22(27)9-4-3-6-14-23-19(2)26/h10-13,18H,3-9,14-17H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQDLQXHZCDKYBTN-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 51948201
3-(4-methoxyphenoxy)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035396
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide (CID 47036113) is 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide is CC(=O)NCCCCCC(=O)NCc1ccc(CN2CCCCC2C)cc1.
What is the InChIKey of 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide?
The InChIKey is QDLQXHZCDKYBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-18-8-5-7-15-25(18)17-21-12-10-20(11-13-21)16-24-22(27)9-4-3-6-14-23-19(2)26/h10-13,18H,3-9,14-17H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide?
6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide has a molecular weight of 373.54 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide is sourced from PubChem (CID 47036113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).