N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide

C23H33N3OS — CID 42663636

IUPACN-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1cccc(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H33N3OS/c1-2-3-4-5-6-8-14-22(27)24-20-13-11-12-19(17-20)21-18-28-23(25-21)26-15-9-7-10-16-26/h11-13,17-18H,2-10,14-16H2,1H3,(H,24,27)
InChIKeyUHBXFFDPFNPVRB-UHFFFAOYSA-N
MW399.60 g/mol
LogP6.49
Rot. Bonds10

About N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide

N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide (PubChem CID 42663636) has the molecular formula C23H33N3OS and a molecular weight of 399.60 g/mol. Its IUPAC name is N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide.

Molecular Properties

Compound NameN-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
PubChem CID42663636
Molecular FormulaC23H33N3OS
Molecular Weight399.60 g/mol
Exact Mass399.23
IUPAC NameN-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
SMILESCCCCCCCCC(=O)Nc1cccc(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C23H33N3OS/c1-2-3-4-5-6-8-14-22(27)24-20-13-11-12-19(17-20)21-18-28-23(25-21)26-15-9-7-10-16-26/h11-13,17-18H,2-10,14-16H2,1H3,(H,24,27)
InChIKeyUHBXFFDPFNPVRB-UHFFFAOYSA-N
XLogP6.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
CID 3976277
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
2-(4-chlorophenoxy)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 1195308
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide?
The IUPAC name of N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide (CID 42663636) is N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide.
What is the SMILES notation for N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide?
The canonical SMILES for N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide is CCCCCCCCC(=O)Nc1cccc(-c2csc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide?
The InChIKey is UHBXFFDPFNPVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OS/c1-2-3-4-5-6-8-14-22(27)24-20-13-11-12-19(17-20)21-18-28-23(25-21)26-15-9-7-10-16-26/h11-13,17-18H,2-10,14-16H2,1H3,(H,24,27).
What are the key properties of N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide?
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide has a molecular weight of 399.60 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide is sourced from PubChem (CID 42663636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).