N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide

C19H30N4OS — CID 98074577

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCc1cnc(NC(=O)CN2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)s1
InChIInChI=1S/C19H30N4OS/c1-14-10-20-19(25-14)21-17(24)13-22-11-15-6-5-7-16(12-22)18(15)23-8-3-2-4-9-23/h10,15-16,18H,2-9,11-13H2,1H3,(H,20,21,24)/t15-,16-/m1/s1
InChIKeyCPHPJEYIAASAAB-HZPDHXFCSA-N
MW362.54 g/mol
LogP2.98
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide (PubChem CID 98074577) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide
PubChem CID98074577
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCc1cnc(NC(=O)CN2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)s1
InChIInChI=1S/C19H30N4OS/c1-14-10-20-19(25-14)21-17(24)13-22-11-15-6-5-7-16(12-22)18(15)23-8-3-2-4-9-23/h10,15-16,18H,2-9,11-13H2,1H3,(H,20,21,24)/t15-,16-/m1/s1
InChIKeyCPHPJEYIAASAAB-HZPDHXFCSA-N
XLogP2.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide (CID 98074577) is N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide is Cc1cnc(NC(=O)CN2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide?
The InChIKey is CPHPJEYIAASAAB-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-14-10-20-19(25-14)21-17(24)13-22-11-15-6-5-7-16(12-22)18(15)23-8-3-2-4-9-23/h10,15-16,18H,2-9,11-13H2,1H3,(H,20,21,24)/t15-,16-/m1/s1.
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide has a molecular weight of 362.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[(1R,5R)-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonan-3-yl]acetamide is sourced from PubChem (CID 98074577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).