1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C16H22N4O2S — CID 98726037

IUPAC1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C16H22N4O2S/c21-14(18-16-19-17-9-23-16)11-3-5-20(6-4-11)15(22)13-8-10-1-2-12(13)7-10/h9-13H,1-8H2,(H,18,19,21)/t10-,12-,13+/m0/s1
InChIKeyYXAQPIQUODYJCO-WCFLWFBJSA-N
MW334.45 g/mol
LogP2.15
Rot. Bonds3

About 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 98726037) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID98726037
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C16H22N4O2S/c21-14(18-16-19-17-9-23-16)11-3-5-20(6-4-11)15(22)13-8-10-1-2-12(13)7-10/h9-13H,1-8H2,(H,18,19,21)/t10-,12-,13+/m0/s1
InChIKeyYXAQPIQUODYJCO-WCFLWFBJSA-N
XLogP2.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
(3R)-1-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 98723373
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523156
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 98786326
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51073156
1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 98726037) is 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YXAQPIQUODYJCO-WCFLWFBJSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-14(18-16-19-17-9-23-16)11-3-5-20(6-4-11)15(22)13-8-10-1-2-12(13)7-10/h9-13H,1-8H2,(H,18,19,21)/t10-,12-,13+/m0/s1.
What are the key properties of 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 98726037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).