N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

C21H35N3OS — CID 110234598

IUPACN-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1nccs1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H35N3OS/c1-21(2,3)20(25)23-18(19-22-11-14-26-19)17-9-12-24(13-10-17)15-16-7-5-4-6-8-16/h11,14,16-18H,4-10,12-13,15H2,1-3H3,(H,23,25)
InChIKeyMTMLMCPCLZACQL-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.64
Rot. Bonds5

About N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide

N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 110234598) has the molecular formula C21H35N3OS and a molecular weight of 377.60 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID110234598
Molecular FormulaC21H35N3OS
Molecular Weight377.60 g/mol
Exact Mass377.25
IUPAC NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1nccs1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H35N3OS/c1-21(2,3)20(25)23-18(19-22-11-14-26-19)17-9-12-24(13-10-17)15-16-7-5-4-6-8-16/h11,14,16-18H,4-10,12-13,15H2,1-3H3,(H,23,25)
InChIKeyMTMLMCPCLZACQL-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide (CID 110234598) is N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(c1nccs1)C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is MTMLMCPCLZACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3OS/c1-21(2,3)20(25)23-18(19-22-11-14-26-19)17-9-12-24(13-10-17)15-16-7-5-4-6-8-16/h11,14,16-18H,4-10,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide?
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 377.60 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110234598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).