propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate

C23H33N3O4 — CID 47043068

IUPACpropan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)c1ccccc1
InChIInChI=1S/C23H33N3O4/c1-17(2)30-21(27)15-20(18-9-4-3-5-10-18)24-22(28)19-11-8-14-26(16-19)23(29)25-12-6-7-13-25/h3-5,9-10,17,19-20H,6-8,11-16H2,1-2H3,(H,24,28)
InChIKeyUHKVOSVDFONYRF-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.11
Rot. Bonds6

About propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate

propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate (PubChem CID 47043068) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
PubChem CID47043068
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Namepropan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)c1ccccc1
InChIInChI=1S/C23H33N3O4/c1-17(2)30-21(27)15-20(18-9-4-3-5-10-18)24-22(28)19-11-8-14-26(16-19)23(29)25-12-6-7-13-25/h3-5,9-10,17,19-20H,6-8,11-16H2,1-2H3,(H,24,28)
InChIKeyUHKVOSVDFONYRF-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
propan-2-yl (3R)-3-(2-chlorophenyl)-3-[[(3R)-1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]propanoate
CID 30207925
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 51956555
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid
CID 122034366
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
(3S)-3-[[(3S)-1-benzylsulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97211301

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate (CID 47043068) is propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate is CC(C)OC(=O)CC(NC(=O)C1CCCN(C(=O)N2CCCC2)C1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate?
The InChIKey is UHKVOSVDFONYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-17(2)30-21(27)15-20(18-9-4-3-5-10-18)24-22(28)19-11-8-14-26(16-19)23(29)25-12-6-7-13-25/h3-5,9-10,17,19-20H,6-8,11-16H2,1-2H3,(H,24,28).
What are the key properties of propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate?
propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate has a molecular weight of 415.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 47043068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).