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

C15H23N3O2S — CID 71867921

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCCC(CO)C2)C2CC2)s1
InChIInChI=1S/C15H23N3O2S/c1-10-7-16-14(21-10)13(12-4-5-12)17-15(20)18-6-2-3-11(8-18)9-19/h7,11-13,19H,2-6,8-9H2,1H3,(H,17,20)
InChIKeyREEVYCIRJHVTIZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.32
Rot. Bonds4

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

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71867921) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71867921
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCCC(CO)C2)C2CC2)s1
InChIInChI=1S/C15H23N3O2S/c1-10-7-16-14(21-10)13(12-4-5-12)17-15(20)18-6-2-3-11(8-18)9-19/h7,11-13,19H,2-6,8-9H2,1H3,(H,17,20)
InChIKeyREEVYCIRJHVTIZ-UHFFFAOYSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376200
1-(2-Cyclopropyl-2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867997
1-(4-Hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868151
(2R)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128130219
4-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109971359
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 112319520
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide
CID 71867915
3-(hydroxymethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 47197193
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867686
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 71867689
(2R)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867914
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylthiomorpholine-4-carboxamide
CID 71867916

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 71867921) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cnc(C(NC(=O)N2CCCC(CO)C2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is REEVYCIRJHVTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-7-16-14(21-10)13(12-4-5-12)17-15(20)18-6-2-3-11(8-18)9-19/h7,11-13,19H,2-6,8-9H2,1H3,(H,17,20).
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).