N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide

C18H24N2O2 — CID 110820836

IUPACN-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H24N2O2/c21-17(9-6-14-4-2-1-3-5-14)20-12-10-16(11-13-20)19-18(22)15-7-8-15/h1-5,15-16H,6-13H2,(H,19,22)
InChIKeyPJGDXEIAOSGVPP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.14
Rot. Bonds5

About N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 110820836) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID110820836
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C18H24N2O2/c21-17(9-6-14-4-2-1-3-5-14)20-12-10-16(11-13-20)19-18(22)15-7-8-15/h1-5,15-16H,6-13H2,(H,19,22)
InChIKeyPJGDXEIAOSGVPP-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110821946
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide (CID 110820836) is N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is PJGDXEIAOSGVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(9-6-14-4-2-1-3-5-14)20-12-10-16(11-13-20)19-18(22)15-7-8-15/h1-5,15-16H,6-13H2,(H,19,22).
What are the key properties of N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110820836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).