cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone

C16H25N3OS — CID 97097278

IUPACcyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1scnc1C
InChIInChI=1S/C16H25N3OS/c1-3-12-9-19(16(20)13-4-5-13)7-6-14(12)17-8-15-11(2)18-10-21-15/h10,12-14,17H,3-9H2,1-2H3/t12-,14+/m0/s1
InChIKeyXORZVRHAVPCEGP-GXTWGEPZSA-N
MW307.46 g/mol
LogP2.58
Rot. Bonds5

About cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 97097278) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
PubChem CID97097278
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Namecyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1scnc1C
InChIInChI=1S/C16H25N3OS/c1-3-12-9-19(16(20)13-4-5-13)7-6-14(12)17-8-15-11(2)18-10-21-15/h10,12-14,17H,3-9H2,1-2H3/t12-,14+/m0/s1
InChIKeyXORZVRHAVPCEGP-GXTWGEPZSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone (CID 97097278) is cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone is CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1scnc1C.
What is the InChIKey of cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is XORZVRHAVPCEGP-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-12-9-19(16(20)13-4-5-13)7-6-14(12)17-8-15-11(2)18-10-21-15/h10,12-14,17H,3-9H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 307.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4R)-3-ethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 97097278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).