5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

C18H27N3O3 — CID 3470167

IUPAC5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(C)=O)ccc1N1CCCCC1
InChIInChI=1S/C18H27N3O3/c1-14(22)20-15-7-8-17(21-10-4-3-5-11-21)16(13-15)18(23)19-9-6-12-24-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJTGUGQMPYSXIOK-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.40
Rot. Bonds7

About 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide

5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 3470167) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID3470167
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCOCCCNC(=O)c1cc(NC(C)=O)ccc1N1CCCCC1
InChIInChI=1S/C18H27N3O3/c1-14(22)20-15-7-8-17(21-10-4-3-5-11-21)16(13-15)18(23)19-9-6-12-24-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJTGUGQMPYSXIOK-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.40
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-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-(3,3-dimethylbutanoylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 5106369
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-[(2,2-diphenylacetyl)amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3595369
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42757051
5-[(2-methoxybenzoyl)amino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 4691580
5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42661850
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3260050

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide (CID 3470167) is 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is COCCCNC(=O)c1cc(NC(C)=O)ccc1N1CCCCC1.
What is the InChIKey of 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is JTGUGQMPYSXIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(22)20-15-7-8-17(21-10-4-3-5-11-21)16(13-15)18(23)19-9-6-12-24-2/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide?
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3470167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).