N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C14H23N3O2S — CID 71867689

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCC(CO)CC2)s1
InChIInChI=1S/C14H23N3O2S/c1-2-12-9-16-13(20-12)3-6-15-14(19)17-7-4-11(10-18)5-8-17/h9,11,18H,2-8,10H2,1H3,(H,15,19)
InChIKeyGDQYBXNTOWBLQX-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71867689) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71867689
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCc1cnc(CCNC(=O)N2CCC(CO)CC2)s1
InChIInChI=1S/C14H23N3O2S/c1-2-12-9-16-13(20-12)3-6-15-14(19)17-7-4-11(10-18)5-8-17/h9,11,18H,2-8,10H2,1H3,(H,15,19)
InChIKeyGDQYBXNTOWBLQX-UHFFFAOYSA-N
XLogP1.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 71867689) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is CCc1cnc(CCNC(=O)N2CCC(CO)CC2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is GDQYBXNTOWBLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-12-9-16-13(20-12)3-6-15-14(19)17-7-4-11(10-18)5-8-17/h9,11,18H,2-8,10H2,1H3,(H,15,19).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71867689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).