methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate

C20H30N2O3 — CID 119818562

IUPACmethyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
SMILESCOC(=O)C(C)C(NC(=O)CC(C)C1CCNCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-14(16-9-11-21-12-10-16)13-18(23)22-19(15(2)20(24)25-3)17-7-5-4-6-8-17/h4-8,14-16,19,21H,9-13H2,1-3H3,(H,22,23)
InChIKeyYTSCNFRGFDTZDU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.68
Rot. Bonds7

About methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate

methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate (PubChem CID 119818562) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
PubChem CID119818562
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namemethyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
SMILESCOC(=O)C(C)C(NC(=O)CC(C)C1CCNCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-14(16-9-11-21-12-10-16)13-18(23)22-19(15(2)20(24)25-3)17-7-5-4-6-8-17/h4-8,14-16,19,21H,9-13H2,1-3H3,(H,22,23)
InChIKeyYTSCNFRGFDTZDU-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119343555
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
N-(2-phenoxy-1-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119779875
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate (CID 119818562) is methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate is COC(=O)C(C)C(NC(=O)CC(C)C1CCNCC1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate?
The InChIKey is YTSCNFRGFDTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(16-9-11-21-12-10-16)13-18(23)22-19(15(2)20(24)25-3)17-7-5-4-6-8-17/h4-8,14-16,19,21H,9-13H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate?
methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate has a molecular weight of 346.47 g/mol, XLogP of 2.68, 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-4-ylbutanoylamino)propanoate is sourced from PubChem (CID 119818562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).