N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide

C18H27N3O2 — CID 85018800

IUPACN-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
SMILESCC1CCCCN1CCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-15-8-5-6-12-21(15)13-7-11-19-17(22)14-20-18(23)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyLMNTWOQWCABQJU-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide

N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide (PubChem CID 85018800) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
PubChem CID85018800
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
SMILESCC1CCCCN1CCCNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-15-8-5-6-12-21(15)13-7-11-19-17(22)14-20-18(23)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyLMNTWOQWCABQJU-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.80
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

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
5-bromo-N-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]furan-2-carboxamide
CID 9472859
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
2-[[N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111370983
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide (CID 85018800) is N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide is CC1CCCCN1CCCNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The InChIKey is LMNTWOQWCABQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-8-5-6-12-21(15)13-7-11-19-17(22)14-20-18(23)16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide has a molecular weight of 317.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 85018800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).