N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide

C14H22N4OS — CID 97097853

IUPACN-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H22N4OS/c1-2-4-12(19)15-11-5-3-8-18(9-11)14-16-13(17-20-14)10-6-7-10/h10-11H,2-9H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyLSJQBELLVIPNRF-NSHDSACASA-N
MW294.42 g/mol
LogP2.30
Rot. Bonds5

About N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide

N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide (PubChem CID 97097853) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
PubChem CID97097853
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C14H22N4OS/c1-2-4-12(19)15-11-5-3-8-18(9-11)14-16-13(17-20-14)10-6-7-10/h10-11H,2-9H2,1H3,(H,15,19)/t11-/m0/s1
InChIKeyLSJQBELLVIPNRF-NSHDSACASA-N
XLogP2.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 71923656
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 133354809
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
tert-butyl N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133380890
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
CID 65276256
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
3-cyclohexyl-5-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164630168
2-methyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanamide
CID 133354661
3-cyclohexyl-5-[3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 128850076
N-[(3R)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]butanamide
CID 96567399

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
The IUPAC name of N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide (CID 97097853) is N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide is CCCC(=O)N[C@H]1CCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
The InChIKey is LSJQBELLVIPNRF-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-4-12(19)15-11-5-3-8-18(9-11)14-16-13(17-20-14)10-6-7-10/h10-11H,2-9H2,1H3,(H,15,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide?
N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide has a molecular weight of 294.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide is sourced from PubChem (CID 97097853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).