(3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

C18H25N3O2S — CID 97212992

IUPAC(3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1csc(C2CC2)n1
InChIInChI=1S/C18H25N3O2S/c1-11(15-10-24-17(20-15)12-4-5-12)19-16(22)14-3-2-8-21(9-14)18(23)13-6-7-13/h10-14H,2-9H2,1H3,(H,19,22)/t11-,14+/m1/s1
InChIKeyVOATUMQJDAELJU-RISCZKNCSA-N
MW347.48 g/mol
LogP2.85
Rot. Bonds5

About (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

(3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 97212992) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID97212992
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1csc(C2CC2)n1
InChIInChI=1S/C18H25N3O2S/c1-11(15-10-24-17(20-15)12-4-5-12)19-16(22)14-3-2-8-21(9-14)18(23)13-6-7-13/h10-14H,2-9H2,1H3,(H,19,22)/t11-,14+/m1/s1
InChIKeyVOATUMQJDAELJU-RISCZKNCSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,7aR)-N-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 129434872
1-(cyclopropanecarbonyl)-N-[1-(4-hydroxy-1-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
CID 154846356
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (CID 97212992) is (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1csc(C2CC2)n1.
What is the InChIKey of (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is VOATUMQJDAELJU-RISCZKNCSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-11(15-10-24-17(20-15)12-4-5-12)19-16(22)14-3-2-8-21(9-14)18(23)13-6-7-13/h10-14H,2-9H2,1H3,(H,19,22)/t11-,14+/m1/s1.
What are the key properties of (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropanecarbonyl)-N-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97212992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).