methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride

C20H31ClN2O3 — CID 119818551

IUPACmethyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
SMILESCOC(=O)C(C)C(NC(=O)CC(C)C1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-14(17-10-7-11-21-13-17)12-18(23)22-19(15(2)20(24)25-3)16-8-5-4-6-9-16;/h4-6,8-9,14-15,17,19,21H,7,10-13H2,1-3H3,(H,22,23);1H
InChIKeyQFRWPQIJDQHECD-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.10
Rot. Bonds7

About methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride

methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride (PubChem CID 119818551) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
PubChem CID119818551
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Namemethyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
SMILESCOC(=O)C(C)C(NC(=O)CC(C)C1CCCNC1)c1ccccc1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-14(17-10-7-11-21-13-17)12-18(23)22-19(15(2)20(24)25-3)16-8-5-4-6-9-16;/h4-6,8-9,14-15,17,19,21H,7,10-13H2,1-3H3,(H,22,23);1H
InChIKeyQFRWPQIJDQHECD-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119818562
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride?
The IUPAC name of methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride (CID 119818551) is methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride is COC(=O)C(C)C(NC(=O)CC(C)C1CCCNC1)c1ccccc1.Cl.
What is the InChIKey of methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride?
The InChIKey is QFRWPQIJDQHECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-14(17-10-7-11-21-13-17)12-18(23)22-19(15(2)20(24)25-3)16-8-5-4-6-9-16;/h4-6,8-9,14-15,17,19,21H,7,10-13H2,1-3H3,(H,22,23);1H.
What are the key properties of methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride?
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride is sourced from PubChem (CID 119818551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).