N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C23H29N5OS — CID 14426403

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C23H29N5OS/c1-3-21(29)28(20-8-5-4-6-9-20)23(22-25-19(2)18-30-22)10-14-26(15-11-23)16-17-27-13-7-12-24-27/h4-9,12-13,18H,3,10-11,14-17H2,1-2H3
InChIKeyINBDMSIHZXMADB-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.08
Rot. Bonds7

About N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426403) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426403
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1
InChIInChI=1S/C23H29N5OS/c1-3-21(29)28(20-8-5-4-6-9-20)23(22-25-19(2)18-30-22)10-14-26(15-11-23)16-17-27-13-7-12-24-27/h4-9,12-13,18H,3,10-11,14-17H2,1-2H3
InChIKeyINBDMSIHZXMADB-UHFFFAOYSA-N
XLogP4.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 14426403) is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(CCn2cccn2)CC1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is INBDMSIHZXMADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-3-21(29)28(20-8-5-4-6-9-20)23(22-25-19(2)18-30-22)10-14-26(15-11-23)16-17-27-13-7-12-24-27/h4-9,12-13,18H,3,10-11,14-17H2,1-2H3.
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 423.59 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).