2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide

C28H40N4O2 — CID 4276145

IUPAC2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C28H40N4O2/c1-3-4-5-6-7-8-11-27(33)31-24-12-13-26(32-17-14-22(2)15-18-32)25(19-24)28(34)30-21-23-10-9-16-29-20-23/h9-10,12-13,16,19-20,22H,3-8,11,14-15,17-18,21H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyHMPDDDRKZUVFCO-UHFFFAOYSA-N
MW464.65 g/mol
LogP5.94
Rot. Bonds12

About 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide

2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4276145) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4276145
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C28H40N4O2/c1-3-4-5-6-7-8-11-27(33)31-24-12-13-26(32-17-14-22(2)15-18-32)25(19-24)28(34)30-21-23-10-9-16-29-20-23/h9-10,12-13,16,19-20,22H,3-8,11,14-15,17-18,21H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyHMPDDDRKZUVFCO-UHFFFAOYSA-N
XLogP5.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hexanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 3565493
2-(4-benzylpiperidin-1-yl)-5-(heptanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4018849
2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4266773
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(pentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42762511
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-(3,3-dimethylbutanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 42756056
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
5-[[(2R)-2-ethylhexanoyl]amino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 7213668
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide (CID 4276145) is 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide is CCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is HMPDDDRKZUVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-3-4-5-6-7-8-11-27(33)31-24-12-13-26(32-17-14-22(2)15-18-32)25(19-24)28(34)30-21-23-10-9-16-29-20-23/h9-10,12-13,16,19-20,22H,3-8,11,14-15,17-18,21H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide?
2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 464.65 g/mol, XLogP of 5.94, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 4276145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).