1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C16H23N3O3S — CID 72928380

IUPAC1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CC1)N1CCC(C(=O)N(CCO)Cc2nccs2)CC1
InChIInChI=1S/C16H23N3O3S/c20-9-8-19(11-14-17-5-10-23-14)16(22)13-3-6-18(7-4-13)15(21)12-1-2-12/h5,10,12-13,20H,1-4,6-9,11H2
InChIKeyRFOFKNZMBLCDRN-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.11
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 72928380) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID72928380
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CC1)N1CCC(C(=O)N(CCO)Cc2nccs2)CC1
InChIInChI=1S/C16H23N3O3S/c20-9-8-19(11-14-17-5-10-23-14)16(22)13-3-6-18(7-4-13)15(21)12-1-2-12/h5,10,12-13,20H,1-4,6-9,11H2
InChIKeyRFOFKNZMBLCDRN-UHFFFAOYSA-N
XLogP1.11
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 72928380) is 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is O=C(C1CC1)N1CCC(C(=O)N(CCO)Cc2nccs2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is RFOFKNZMBLCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-9-8-19(11-14-17-5-10-23-14)16(22)13-3-6-18(7-4-13)15(21)12-1-2-12/h5,10,12-13,20H,1-4,6-9,11H2.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).