5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

C23H31N3O — CID 3627197

IUPAC5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-17(2)16-25-23(27)21-15-20(24)8-9-22(21)26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15,17,19H,10-14,16,24H2,1-2H3,(H,25,27)
InChIKeyGFWSASLQUFNIAX-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.11
Rot. Bonds6

About 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide

5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (PubChem CID 3627197) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
PubChem CID3627197
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-17(2)16-25-23(27)21-15-20(24)8-9-22(21)26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15,17,19H,10-14,16,24H2,1-2H3,(H,25,27)
InChIKeyGFWSASLQUFNIAX-UHFFFAOYSA-N
XLogP4.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1063121
2-(4-benzylpiperidin-1-yl)-5-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 42751667
2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42751508
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 1064347
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylbutanoylamino)benzamide
CID 42762451
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 4587534
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-5-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 42751698

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide (CID 3627197) is 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is GFWSASLQUFNIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(2)16-25-23(27)21-15-20(24)8-9-22(21)26-12-10-19(11-13-26)14-18-6-4-3-5-7-18/h3-9,15,17,19H,10-14,16,24H2,1-2H3,(H,25,27).
What are the key properties of 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide?
5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 365.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-benzylpiperidin-1-yl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 3627197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).