(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C16H25N3OS — CID 110114476

IUPAC(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2(C)CCN(C(=O)C3(N)CCCC3)CC2)s1
InChIInChI=1S/C16H25N3OS/c1-12-11-18-13(21-12)15(2)7-9-19(10-8-15)14(20)16(17)5-3-4-6-16/h11H,3-10,17H2,1-2H3
InChIKeyVHKFCBJHPKLIRG-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.60
Rot. Bonds2

About (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110114476) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110114476
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2(C)CCN(C(=O)C3(N)CCCC3)CC2)s1
InChIInChI=1S/C16H25N3OS/c1-12-11-18-13(21-12)15(2)7-9-19(10-8-15)14(20)16(17)5-3-4-6-16/h11H,3-10,17H2,1-2H3
InChIKeyVHKFCBJHPKLIRG-UHFFFAOYSA-N
XLogP2.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110114476) is (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C2(C)CCN(C(=O)C3(N)CCCC3)CC2)s1.
What is the InChIKey of (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VHKFCBJHPKLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-12-11-18-13(21-12)15(2)7-9-19(10-8-15)14(20)16(17)5-3-4-6-16/h11H,3-10,17H2,1-2H3.
What are the key properties of (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 307.46 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110114476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).