N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide

C20H26N2O2 — CID 71879972

IUPACN-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)C1CCC1
InChIInChI=1S/C20H26N2O2/c23-18(15-5-4-6-15)21-17-9-13-22(14-10-17)19(24)20(11-12-20)16-7-2-1-3-8-16/h1-3,7-8,15,17H,4-6,9-14H2,(H,21,23)
InChIKeyLPEDWDQJRNLGRH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 71879972) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID71879972
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)C1CCC1
InChIInChI=1S/C20H26N2O2/c23-18(15-5-4-6-15)21-17-9-13-22(14-10-17)19(24)20(11-12-20)16-7-2-1-3-8-16/h1-3,7-8,15,17H,4-6,9-14H2,(H,21,23)
InChIKeyLPEDWDQJRNLGRH-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide (CID 71879972) is N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide is O=C(NC1CCN(C(=O)C2(c3ccccc3)CC2)CC1)C1CCC1.
What is the InChIKey of N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is LPEDWDQJRNLGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18(15-5-4-6-15)21-17-9-13-22(14-10-17)19(24)20(11-12-20)16-7-2-1-3-8-16/h1-3,7-8,15,17H,4-6,9-14H2,(H,21,23).
What are the key properties of N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71879972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).