3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C20H32ClN3O4 — CID 120579872

IUPAC3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCOCCCOc1cccc(C(=O)N2CCCCC2CNC(=O)CCN)c1.Cl
InChIInChI=1S/C20H31N3O4.ClH/c1-26-12-5-13-27-18-8-4-6-16(14-18)20(25)23-11-3-2-7-17(23)15-22-19(24)9-10-21;/h4,6,8,14,17H,2-3,5,7,9-13,15,21H2,1H3,(H,22,24);1H
InChIKeyHBUNZOZRDLYFBJ-UHFFFAOYSA-N
MW413.95 g/mol
LogP1.98
Rot. Bonds10

About 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579872) has the molecular formula C20H32ClN3O4 and a molecular weight of 413.95 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579872
Molecular FormulaC20H32ClN3O4
Molecular Weight413.95 g/mol
Exact Mass413.21
IUPAC Name3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCOCCCOc1cccc(C(=O)N2CCCCC2CNC(=O)CCN)c1.Cl
InChIInChI=1S/C20H31N3O4.ClH/c1-26-12-5-13-27-18-8-4-6-16(14-18)20(25)23-11-3-2-7-17(23)15-22-19(24)9-10-21;/h4,6,8,14,17H,2-3,5,7,9-13,15,21H2,1H3,(H,22,24);1H
InChIKeyHBUNZOZRDLYFBJ-UHFFFAOYSA-N
XLogP1.98
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
3-amino-N-[[1-(4-butoxy-3-methoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579797
3-amino-N-[[1-[4-(3-methylbutoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578236
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578155

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579872) is 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is COCCCOc1cccc(C(=O)N2CCCCC2CNC(=O)CCN)c1.Cl.
What is the InChIKey of 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is HBUNZOZRDLYFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4.ClH/c1-26-12-5-13-27-18-8-4-6-16(14-18)20(25)23-11-3-2-7-17(23)15-22-19(24)9-10-21;/h4,6,8,14,17H,2-3,5,7,9-13,15,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).