N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide

C24H27N3OS — CID 45177344

IUPACN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESCc1ncc(CN2CCCC(CNC(=O)c3ccc(-c4ccccc4)cc3)C2)s1
InChIInChI=1S/C24H27N3OS/c1-18-25-15-23(29-18)17-27-13-5-6-19(16-27)14-26-24(28)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-12,15,19H,5-6,13-14,16-17H2,1H3,(H,26,28)
InChIKeyROQMNDNMLOMTPF-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.76
Rot. Bonds6

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

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide (PubChem CID 45177344) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
PubChem CID45177344
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
SMILESCc1ncc(CN2CCCC(CNC(=O)c3ccc(-c4ccccc4)cc3)C2)s1
InChIInChI=1S/C24H27N3OS/c1-18-25-15-23(29-18)17-27-13-5-6-19(16-27)14-26-24(28)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-12,15,19H,5-6,13-14,16-17H2,1H3,(H,26,28)
InChIKeyROQMNDNMLOMTPF-UHFFFAOYSA-N
XLogP4.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide (CID 45177344) is N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide is Cc1ncc(CN2CCCC(CNC(=O)c3ccc(-c4ccccc4)cc3)C2)s1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
The InChIKey is ROQMNDNMLOMTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-18-25-15-23(29-18)17-27-13-5-6-19(16-27)14-26-24(28)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-12,15,19H,5-6,13-14,16-17H2,1H3,(H,26,28).
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide?
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide has a molecular weight of 405.57 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 45177344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).