2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide

C18H29N3O2 — CID 46985963

IUPAC2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide
SMILESCCC(Nc1cccc(OC)c1)C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-3-17(20-15-8-7-9-16(14-15)23-2)18(22)19-10-13-21-11-5-4-6-12-21/h7-9,14,17,20H,3-6,10-13H2,1-2H3,(H,19,22)
InChIKeyAHKLFASWKIGHQI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.49
Rot. Bonds8

About 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide

2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide (PubChem CID 46985963) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide
PubChem CID46985963
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide
SMILESCCC(Nc1cccc(OC)c1)C(=O)NCCN1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-3-17(20-15-8-7-9-16(14-15)23-2)18(22)19-10-13-21-11-5-4-6-12-21/h7-9,14,17,20H,3-6,10-13H2,1-2H3,(H,19,22)
InChIKeyAHKLFASWKIGHQI-UHFFFAOYSA-N
XLogP2.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 43083385
1-[2-(azepan-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249862
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
2-acetamido-3-(4-methoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3349551
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
2-(3-methoxyphenyl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722800
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111347242

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide (CID 46985963) is 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide is CCC(Nc1cccc(OC)c1)C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide?
The InChIKey is AHKLFASWKIGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-17(20-15-8-7-9-16(14-15)23-2)18(22)19-10-13-21-11-5-4-6-12-21/h7-9,14,17,20H,3-6,10-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide?
2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide has a molecular weight of 319.45 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 46985963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).