N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H34N4O2S — CID 47080457

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)NCC(CC(C)C)N3CCOCC3)CC2)n1
InChIInChI=1S/C20H34N4O2S/c1-15(2)12-18(23-8-10-26-11-9-23)13-21-19(25)17-4-6-24(7-5-17)20-22-16(3)14-27-20/h14-15,17-18H,4-13H2,1-3H3,(H,21,25)
InChIKeyHVYYPKGRCQMMQX-UHFFFAOYSA-N
MW394.59 g/mol
LogP2.53
Rot. Bonds7

About N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 47080457) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID47080457
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)NCC(CC(C)C)N3CCOCC3)CC2)n1
InChIInChI=1S/C20H34N4O2S/c1-15(2)12-18(23-8-10-26-11-9-23)13-21-19(25)17-4-6-24(7-5-17)20-22-16(3)14-27-20/h14-15,17-18H,4-13H2,1-3H3,(H,21,25)
InChIKeyHVYYPKGRCQMMQX-UHFFFAOYSA-N
XLogP2.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 47080457) is N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(N2CCC(C(=O)NCC(CC(C)C)N3CCOCC3)CC2)n1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HVYYPKGRCQMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-15(2)12-18(23-8-10-26-11-9-23)13-21-19(25)17-4-6-24(7-5-17)20-22-16(3)14-27-20/h14-15,17-18H,4-13H2,1-3H3,(H,21,25).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 394.59 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47080457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).