N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C24H27N3OS — CID 26392211

IUPACN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C24H27N3OS/c28-23(16-22-18-29-24(26-22)20-10-5-2-6-11-20)25-21-12-7-14-27(17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,18,21H,7,12-17H2,(H,25,28)/t21-/m0/s1
InChIKeyASKPMQJPZPRQJD-NRFANRHFSA-N
MW405.57 g/mol
LogP4.18
Rot. Bonds7

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

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 26392211) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID26392211
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C24H27N3OS/c28-23(16-22-18-29-24(26-22)20-10-5-2-6-11-20)25-21-12-7-14-27(17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,18,21H,7,12-17H2,(H,25,28)/t21-/m0/s1
InChIKeyASKPMQJPZPRQJD-NRFANRHFSA-N
XLogP4.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 25373999
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45244355
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 25491989
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
2-(2-amino-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62800166
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 26392211) is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ASKPMQJPZPRQJD-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3OS/c28-23(16-22-18-29-24(26-22)20-10-5-2-6-11-20)25-21-12-7-14-27(17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,18,21H,7,12-17H2,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 405.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 26392211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).