N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride

C21H34ClN3O2 — CID 119734312

IUPACN-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
SMILESCCCCNC(=O)c1ccc(CNC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-3-4-11-23-21(26)19-7-5-17(6-8-19)15-24-20(25)14-16(2)18-9-12-22-13-10-18;/h5-8,16,18,22H,3-4,9-15H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyYGWDFQFZSYGCKR-UHFFFAOYSA-N
MW395.98 g/mol
LogP3.28
Rot. Bonds9

About N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride

N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride (PubChem CID 119734312) has the molecular formula C21H34ClN3O2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
PubChem CID119734312
Molecular FormulaC21H34ClN3O2
Molecular Weight395.98 g/mol
Exact Mass395.23
IUPAC NameN-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
SMILESCCCCNC(=O)c1ccc(CNC(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-3-4-11-23-21(26)19-7-5-17(6-8-19)15-24-20(25)14-16(2)18-9-12-22-13-10-18;/h5-8,16,18,22H,3-4,9-15H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyYGWDFQFZSYGCKR-UHFFFAOYSA-N
XLogP3.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887021
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
The IUPAC name of N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride (CID 119734312) is N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
The canonical SMILES for N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride is CCCCNC(=O)c1ccc(CNC(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
The InChIKey is YGWDFQFZSYGCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.ClH/c1-3-4-11-23-21(26)19-7-5-17(6-8-19)15-24-20(25)14-16(2)18-9-12-22-13-10-18;/h5-8,16,18,22H,3-4,9-15H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride?
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119734312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).