N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide

C18H26N2O2S — CID 110819982

IUPACN-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O2S/c21-17(8-7-16-6-3-13-23-16)19-15-9-11-20(12-10-15)18(22)14-4-1-2-5-14/h3,6,13-15H,1-2,4-5,7-12H2,(H,19,21)
InChIKeyFVWKGAJAJKSSEF-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.98
Rot. Bonds5

About N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide

N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide (PubChem CID 110819982) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
PubChem CID110819982
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O2S/c21-17(8-7-16-6-3-13-23-16)19-15-9-11-20(12-10-15)18(22)14-4-1-2-5-14/h3,6,13-15H,1-2,4-5,7-12H2,(H,19,21)
InChIKeyFVWKGAJAJKSSEF-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide (CID 110819982) is N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is FVWKGAJAJKSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(8-7-16-6-3-13-23-16)19-15-9-11-20(12-10-15)18(22)14-4-1-2-5-14/h3,6,13-15H,1-2,4-5,7-12H2,(H,19,21).
What are the key properties of N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide?
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 334.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110819982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).