N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride

C18H28ClN3O2 — CID 119310763

IUPACN-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1CCCN(C(=O)c2ccc(CN)cc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-4-17(22)20-12-15-5-3-10-21(13-15)18(23)16-8-6-14(11-19)7-9-16;/h6-9,15H,2-5,10-13,19H2,1H3,(H,20,22);1H
InChIKeyGHGNOZDGGQXLKR-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.34
Rot. Bonds6

About N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride

N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride (PubChem CID 119310763) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
PubChem CID119310763
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1CCCN(C(=O)c2ccc(CN)cc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-4-17(22)20-12-15-5-3-10-21(13-15)18(23)16-8-6-14(11-19)7-9-16;/h6-9,15H,2-5,10-13,19H2,1H3,(H,20,22);1H
InChIKeyGHGNOZDGGQXLKR-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 97312968
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride?
The IUPAC name of N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride (CID 119310763) is N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride is CCCC(=O)NCC1CCCN(C(=O)c2ccc(CN)cc2)C1.Cl.
What is the InChIKey of N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride?
The InChIKey is GHGNOZDGGQXLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-2-4-17(22)20-12-15-5-3-10-21(13-15)18(23)16-8-6-14(11-19)7-9-16;/h6-9,15H,2-5,10-13,19H2,1H3,(H,20,22);1H.
What are the key properties of N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride?
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119310763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).