1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

C18H29N5O2S — CID 1458195

IUPAC1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C18H29N5O2S/c1-12(2)16-21-22-17(26-16)20-15(24)13-8-10-23(11-9-13)18(25)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,25)(H,20,22,24)
InChIKeyNAZYNOIWCHKBOD-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.35
Rot. Bonds4

About 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 1458195) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID1458195
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C18H29N5O2S/c1-12(2)16-21-22-17(26-16)20-15(24)13-8-10-23(11-9-13)18(25)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,25)(H,20,22,24)
InChIKeyNAZYNOIWCHKBOD-UHFFFAOYSA-N
XLogP3.35
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 929372
1-(2,2-dimethylpropanoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17224450
trans-(1R,2R)-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 95706153
2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47336466
1-(4-fluorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 18103517

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide (CID 1458195) is 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is CC(C)c1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1.
What is the InChIKey of 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is NAZYNOIWCHKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-12(2)16-21-22-17(26-16)20-15(24)13-8-10-23(11-9-13)18(25)19-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,19,25)(H,20,22,24).
What are the key properties of 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 379.53 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 1458195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).