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

C15H23N3O2S — CID 111508025

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCC(CO)CC2)C2CC2)s1
InChIInChI=1S/C15H23N3O2S/c1-10-8-16-14(21-10)13(12-2-3-12)17-15(20)18-6-4-11(9-19)5-7-18/h8,11-13,19H,2-7,9H2,1H3,(H,17,20)
InChIKeyVEPSOLXDQPEFPM-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.32
Rot. Bonds4

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

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111508025) 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]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111508025
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCC(CO)CC2)C2CC2)s1
InChIInChI=1S/C15H23N3O2S/c1-10-8-16-14(21-10)13(12-2-3-12)17-15(20)18-6-4-11(9-19)5-7-18/h8,11-13,19H,2-7,9H2,1H3,(H,17,20)
InChIKeyVEPSOLXDQPEFPM-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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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111508025) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is Cc1cnc(C(NC(=O)N2CCC(CO)CC2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is VEPSOLXDQPEFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-8-16-14(21-10)13(12-2-3-12)17-15(20)18-6-4-11(9-19)5-7-18/h8,11-13,19H,2-7,9H2,1H3,(H,17,20).
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(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]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111508025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).