[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

C19H31N3OS — CID 97097593

IUPAC[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C19H31N3OS/c1-5-13-12-22(17(23)14-6-7-14)9-8-16(13)20-10-15-11-21-18(24-15)19(2,3)4/h11,13-14,16,20H,5-10,12H2,1-4H3/t13-,16-/m1/s1
InChIKeyOOORNHGEQDVECP-CZUORRHYSA-N
MW349.54 g/mol
LogP3.57
Rot. Bonds5

About [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone

[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 97097593) 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-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID97097593
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C19H31N3OS/c1-5-13-12-22(17(23)14-6-7-14)9-8-16(13)20-10-15-11-21-18(24-15)19(2,3)4/h11,13-14,16,20H,5-10,12H2,1-4H3/t13-,16-/m1/s1
InChIKeyOOORNHGEQDVECP-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-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97027015
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
cyclopropyl-[(3R,4R)-3-ethyl-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 97097433
cyclopropyl-[(3S,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026938
cyclopropyl-[(3R,4R)-3-ethyl-4-[(5-methylfuran-2-yl)methylamino]piperidin-1-yl]methanone
CID 97026937
[(3R,4R)-4-[(5-chlorofuran-2-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97097445
[(3S,4S)-4-(2H-chromen-3-ylmethylamino)-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97026862
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 63121163
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[(3S,4R)-3-ethyl-4-(quinolin-8-ylmethylamino)piperidin-1-yl]methanone
CID 97097554
cyclopropyl-[(3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-ethylpiperidin-1-yl]methanone
CID 97097463

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone (CID 97097593) is [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is OOORNHGEQDVECP-CZUORRHYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-5-13-12-22(17(23)14-6-7-14)9-8-16(13)20-10-15-11-21-18(24-15)19(2,3)4/h11,13-14,16,20H,5-10,12H2,1-4H3/t13-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-5-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-5-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 97097593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).