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

C25H29N3OS — CID 14426410

IUPACN-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H29N3OS/c1-2-23(29)28(22-11-7-4-8-12-22)25(24-26-16-20-30-24)14-18-27(19-15-25)17-13-21-9-5-3-6-10-21/h3-12,16,20H,2,13-15,17-19H2,1H3
InChIKeyBSOGYUOSODTVSX-UHFFFAOYSA-N
MW419.59 g/mol
LogP5.12
Rot. Bonds7

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

N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 14426410) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
PubChem CID14426410
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H29N3OS/c1-2-23(29)28(22-11-7-4-8-12-22)25(24-26-16-20-30-24)14-18-27(19-15-25)17-13-21-9-5-3-6-10-21/h3-12,16,20H,2,13-15,17-19H2,1H3
InChIKeyBSOGYUOSODTVSX-UHFFFAOYSA-N
XLogP5.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (CID 14426410) is N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is BSOGYUOSODTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-2-23(29)28(22-11-7-4-8-12-22)25(24-26-16-20-30-24)14-18-27(19-15-25)17-13-21-9-5-3-6-10-21/h3-12,16,20H,2,13-15,17-19H2,1H3.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 419.59 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14426410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).