3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide

C20H31N3O2 — CID 119719799

IUPAC3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C20H31N3O2/c1-3-9-22-20(25)17-7-4-6-16(12-17)13-23-19(24)11-15(2)18-8-5-10-21-14-18/h4,6-7,12,15,18,21H,3,5,8-11,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUHKJDLXKOXXNRI-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.47
Rot. Bonds8

About 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide

3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide (PubChem CID 119719799) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
PubChem CID119719799
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNC(=O)CC(C)C2CCCNC2)c1
InChIInChI=1S/C20H31N3O2/c1-3-9-22-20(25)17-7-4-6-16(12-17)13-23-19(24)11-15(2)18-8-5-10-21-14-18/h4,6-7,12,15,18,21H,3,5,8-11,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyUHKJDLXKOXXNRI-UHFFFAOYSA-N
XLogP2.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119847444
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119803049
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350

Frequently Asked Questions

What is the IUPAC name of 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide?
The IUPAC name of 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide (CID 119719799) is 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide?
The canonical SMILES for 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNC(=O)CC(C)C2CCCNC2)c1.
What is the InChIKey of 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide?
The InChIKey is UHKJDLXKOXXNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-9-22-20(25)17-7-4-6-16(12-17)13-23-19(24)11-15(2)18-8-5-10-21-14-18/h4,6-7,12,15,18,21H,3,5,8-11,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide?
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide has a molecular weight of 345.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide is sourced from PubChem (CID 119719799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).