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

C20H33N5OS — CID 26407278

IUPACN-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCN(C)c1ncc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)s1
InChIInChI=1S/C20H33N5OS/c1-23(2)20-21-13-18(27-20)14-24-9-7-17(8-10-24)25-11-5-15(6-12-25)19(26)22-16-3-4-16/h13,15-17H,3-12,14H2,1-2H3,(H,22,26)
InChIKeyXNPSBVDJOOIXMS-UHFFFAOYSA-N
MW391.59 g/mol
LogP2.16
Rot. Bonds6

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

N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 26407278) has the molecular formula C20H33N5OS and a molecular weight of 391.59 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID26407278
Molecular FormulaC20H33N5OS
Molecular Weight391.59 g/mol
Exact Mass391.24
IUPAC NameN-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCN(C)c1ncc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)s1
InChIInChI=1S/C20H33N5OS/c1-23(2)20-21-13-18(27-20)14-24-9-7-17(8-10-24)25-11-5-15(6-12-25)19(26)22-16-3-4-16/h13,15-17H,3-12,14H2,1-2H3,(H,22,26)
InChIKeyXNPSBVDJOOIXMS-UHFFFAOYSA-N
XLogP2.16
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 26407278) is N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide is CN(C)c1ncc(CN2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)s1.
What is the InChIKey of N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is XNPSBVDJOOIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5OS/c1-23(2)20-21-13-18(27-20)14-24-9-7-17(8-10-24)25-11-5-15(6-12-25)19(26)22-16-3-4-16/h13,15-17H,3-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 391.59 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26407278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).