4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide

C17H25N3O2 — CID 3367291

IUPAC4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-14-5-7-15(8-6-14)17(22)19-10-9-18-16(21)13-20-11-3-2-4-12-20/h5-8H,2-4,9-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyWRHRDCAOPHABPN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.33
Rot. Bonds6

About 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide

4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide (PubChem CID 3367291) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
PubChem CID3367291
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-14-5-7-15(8-6-14)17(22)19-10-9-18-16(21)13-20-11-3-2-4-12-20/h5-8H,2-4,9-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyWRHRDCAOPHABPN-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.33
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

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CID 108997193
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CID 108537946
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
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3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
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CID 156853457
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
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4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
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CID 43924202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide (CID 3367291) is 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)CN2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide?
The InChIKey is WRHRDCAOPHABPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-5-7-15(8-6-14)17(22)19-10-9-18-16(21)13-20-11-3-2-4-12-20/h5-8H,2-4,9-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide?
4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide has a molecular weight of 303.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 3367291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).