1-(3-phenylpropanoyl)piperidine-4-carboxylate

C15H18NO3- — CID 6930824

IUPAC1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-5,13H,6-11H2,(H,18,19)/p-1
InChIKeyWQOSVYASWDJHLK-UHFFFAOYSA-M
MW260.31 g/mol
LogP0.61
Rot. Bonds4

About 1-(3-phenylpropanoyl)piperidine-4-carboxylate

1-(3-phenylpropanoyl)piperidine-4-carboxylate (PubChem CID 6930824) has the molecular formula C15H18NO3- and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)piperidine-4-carboxylate
PubChem CID6930824
Molecular FormulaC15H18NO3-
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-5,13H,6-11H2,(H,18,19)/p-1
InChIKeyWQOSVYASWDJHLK-UHFFFAOYSA-M
XLogP0.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
1-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119635073
1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 47078732
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of 1-(3-phenylpropanoyl)piperidine-4-carboxylate (CID 6930824) is 1-(3-phenylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for 1-(3-phenylpropanoyl)piperidine-4-carboxylate is O=C([O-])C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The InChIKey is WQOSVYASWDJHLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19NO3/c17-14(7-6-12-4-2-1-3-5-12)16-10-8-13(9-11-16)15(18)19/h1-5,13H,6-11H2,(H,18,19)/p-1.
What are the key properties of 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
1-(3-phenylpropanoyl)piperidine-4-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 6930824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).