[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

C19H31N3OS — CID 97027015

IUPAC[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc(C(C)(C)C)n1
InChIInChI=1S/C19H31N3OS/c1-5-13-11-22(17(23)14-6-7-14)9-8-16(13)20-10-15-12-24-18(21-15)19(2,3)4/h12-14,16,20H,5-11H2,1-4H3/t13-,16-/m1/s1
InChIKeyAAXHQUOQGCYQHL-CZUORRHYSA-N
MW349.54 g/mol
LogP3.57
Rot. Bonds5

About [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 97027015) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID97027015
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc(C(C)(C)C)n1
InChIInChI=1S/C19H31N3OS/c1-5-13-11-22(17(23)14-6-7-14)9-8-16(13)20-10-15-12-24-18(21-15)19(2,3)4/h12-14,16,20H,5-11H2,1-4H3/t13-,16-/m1/s1
InChIKeyAAXHQUOQGCYQHL-CZUORRHYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097593
cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
CID 97097278
cyclopropyl-[(3S,4S)-3-ethyl-4-(pyridin-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097572
1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
CID 71927412
methyl 1-[N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252491
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71871926
cyclopropyl-[(3S,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026938
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529638
cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone
CID 97097554

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (CID 97027015) is [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc(C(C)(C)C)n1.
What is the InChIKey of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is AAXHQUOQGCYQHL-CZUORRHYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-5-13-11-22(17(23)14-6-7-14)9-8-16(13)20-10-15-12-24-18(21-15)19(2,3)4/h12-14,16,20H,5-11H2,1-4H3/t13-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 349.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 97027015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).