(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

C21H35N5OS — CID 52508589

IUPAC(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C[C@H]2CCCN(C(=O)Nc3nnc(C4CCCCC4)s3)C2)CC1
InChIInChI=1S/C21H35N5OS/c1-16-9-12-25(13-10-16)14-17-6-5-11-26(15-17)21(27)22-20-24-23-19(28-20)18-7-3-2-4-8-18/h16-18H,2-15H2,1H3,(H,22,24,27)/t17-/m1/s1
InChIKeyWCVUWGJGXGDXEX-QGZVFWFLSA-N
MW405.61 g/mol
LogP4.56
Rot. Bonds4

About (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 52508589) has the molecular formula C21H35N5OS and a molecular weight of 405.61 g/mol. Its IUPAC name is (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID52508589
Molecular FormulaC21H35N5OS
Molecular Weight405.61 g/mol
Exact Mass405.26
IUPAC Name(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C[C@H]2CCCN(C(=O)Nc3nnc(C4CCCCC4)s3)C2)CC1
InChIInChI=1S/C21H35N5OS/c1-16-9-12-25(13-10-16)14-17-6-5-11-26(15-17)21(27)22-20-24-23-19(28-20)18-7-3-2-4-8-18/h16-18H,2-15H2,1H3,(H,22,24,27)/t17-/m1/s1
InChIKeyWCVUWGJGXGDXEX-QGZVFWFLSA-N
XLogP4.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 52502776
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
(3S)-N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321208

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 52508589) is (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is CC1CCN(C[C@H]2CCCN(C(=O)Nc3nnc(C4CCCCC4)s3)C2)CC1.
What is the InChIKey of (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is WCVUWGJGXGDXEX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H35N5OS/c1-16-9-12-25(13-10-16)14-17-6-5-11-26(15-17)21(27)22-20-24-23-19(28-20)18-7-3-2-4-8-18/h16-18H,2-15H2,1H3,(H,22,24,27)/t17-/m1/s1.
What are the key properties of (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 405.61 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 52508589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).