1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide

C20H25N3O2S — CID 18094758

IUPAC1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C(=O)NCc1cccs1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15(19(24)21-14-18-8-5-13-26-18)23-11-9-16(10-12-23)20(25)22-17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyJKDKFYIRKVFLRZ-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.10
Rot. Bonds6

About 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide

1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 18094758) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID18094758
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
SMILESCC(C(=O)NCc1cccs1)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15(19(24)21-14-18-8-5-13-26-18)23-11-9-16(10-12-23)20(25)22-17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyJKDKFYIRKVFLRZ-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide (CID 18094758) is 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide is CC(C(=O)NCc1cccs1)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is JKDKFYIRKVFLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(19(24)21-14-18-8-5-13-26-18)23-11-9-16(10-12-23)20(25)22-17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide?
1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 18094758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).