3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide

C20H31N3O2 — CID 46984845

IUPAC3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)NCC2CCCN(CCC)C2)c1
InChIInChI=1S/C20H31N3O2/c1-3-7-19(24)22-18-10-5-9-17(13-18)20(25)21-14-16-8-6-12-23(15-16)11-4-2/h5,9-10,13,16H,3-4,6-8,11-12,14-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKYAHTPJVJAAZKR-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.28
Rot. Bonds8

About 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide

3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide (PubChem CID 46984845) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
PubChem CID46984845
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)NCC2CCCN(CCC)C2)c1
InChIInChI=1S/C20H31N3O2/c1-3-7-19(24)22-18-10-5-9-17(13-18)20(25)21-14-16-8-6-12-23(15-16)11-4-2/h5,9-10,13,16H,3-4,6-8,11-12,14-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKYAHTPJVJAAZKR-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
CID 95197793
N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512579
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
CID 95215747
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150
tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
CID 60614622
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide (CID 46984845) is 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide is CCCC(=O)Nc1cccc(C(=O)NCC2CCCN(CCC)C2)c1.
What is the InChIKey of 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide?
The InChIKey is KYAHTPJVJAAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-7-19(24)22-18-10-5-9-17(13-18)20(25)21-14-16-8-6-12-23(15-16)11-4-2/h5,9-10,13,16H,3-4,6-8,11-12,14-15H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide?
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide has a molecular weight of 345.49 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 46984845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).