4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide

C17H26N4O3S — CID 20973450

IUPAC4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCc1nc(CNC(=O)C2CCN(C(=O)NCC3CCCO3)CC2)cs1
InChIInChI=1S/C17H26N4O3S/c1-12-20-14(11-25-12)9-18-16(22)13-4-6-21(7-5-13)17(23)19-10-15-3-2-8-24-15/h11,13,15H,2-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyAMKDDUDDUSTNFG-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.67
Rot. Bonds5

About 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide

4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 20973450) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID20973450
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide
SMILESCc1nc(CNC(=O)C2CCN(C(=O)NCC3CCCO3)CC2)cs1
InChIInChI=1S/C17H26N4O3S/c1-12-20-14(11-25-12)9-18-16(22)13-4-6-21(7-5-13)17(23)19-10-15-3-2-8-24-15/h11,13,15H,2-10H2,1H3,(H,18,22)(H,19,23)
InChIKeyAMKDDUDDUSTNFG-UHFFFAOYSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide (CID 20973450) is 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide is Cc1nc(CNC(=O)C2CCN(C(=O)NCC3CCCO3)CC2)cs1.
What is the InChIKey of 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is AMKDDUDDUSTNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-12-20-14(11-25-12)9-18-16(22)13-4-6-21(7-5-13)17(23)19-10-15-3-2-8-24-15/h11,13,15H,2-10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide?
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-(oxolan-2-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 20973450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).