propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate

C18H26N2O3 — CID 119274330

IUPACpropan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CCNCC1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-17(21)12-16(14-6-4-3-5-7-14)20-18(22)15-8-10-19-11-9-15/h3-7,13,15-16,19H,8-12H2,1-2H3,(H,20,22)
InChIKeyQYBKAFVCEBZDRQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.19
Rot. Bonds6

About propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate

propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate (PubChem CID 119274330) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
PubChem CID119274330
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namepropan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CCNCC1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-17(21)12-16(14-6-4-3-5-7-14)20-18(22)15-8-10-19-11-9-15/h3-7,13,15-16,19H,8-12H2,1-2H3,(H,20,22)
InChIKeyQYBKAFVCEBZDRQ-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
propan-2-yl (3R)-3-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-3-phenylpropanoate
CID 99640689
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
CID 47043068
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
N-(2-cyclohexyl-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119314809
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
propan-2-yl 3-[(3-fluoropyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 75469421
ethyl 3-(4-bromophenyl)-3-(piperidine-4-carbonylamino)propanoate;hydrochloride
CID 119316763

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
The IUPAC name of propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate (CID 119274330) is propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate.
What is the SMILES notation for propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
The canonical SMILES for propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate is CC(C)OC(=O)CC(NC(=O)C1CCNCC1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
The InChIKey is QYBKAFVCEBZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-17(21)12-16(14-6-4-3-5-7-14)20-18(22)15-8-10-19-11-9-15/h3-7,13,15-16,19H,8-12H2,1-2H3,(H,20,22).
What are the key properties of propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate has a molecular weight of 318.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate is sourced from PubChem (CID 119274330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).