1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

C20H30N4O2S — CID 56864888

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H30N4O2S/c25-19(22-8-5-18-21-9-13-27-18)16-2-1-10-24(14-16)17-6-11-23(12-7-17)20(26)15-3-4-15/h9,13,15-17H,1-8,10-12,14H2,(H,22,25)
InChIKeyNJPXGMCYMIYNHI-UHFFFAOYSA-N
MW390.55 g/mol
LogP1.91
Rot. Bonds6

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 56864888) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID56864888
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nccs1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H30N4O2S/c25-19(22-8-5-18-21-9-13-27-18)16-2-1-10-24(14-16)17-6-11-23(12-7-17)20(26)15-3-4-15/h9,13,15-17H,1-8,10-12,14H2,(H,22,25)
InChIKeyNJPXGMCYMIYNHI-UHFFFAOYSA-N
XLogP1.91
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide (CID 56864888) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1nccs1)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is NJPXGMCYMIYNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c25-19(22-8-5-18-21-9-13-27-18)16-2-1-10-24(14-16)17-6-11-23(12-7-17)20(26)15-3-4-15/h9,13,15-17H,1-8,10-12,14H2,(H,22,25).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 56864888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).