N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C21H25N5O3S — CID 55941004

IUPACN-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C21H25N5O3S/c1-24-12-16(11-22-24)19(27)23-17-7-9-25(10-8-17)21(29)18-13-30-14-26(18)20(28)15-5-3-2-4-6-15/h2-6,11-12,17-18H,7-10,13-14H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyIPHHHFISHSGZIT-SFHVURJKSA-N
MW427.53 g/mol
LogP1.36
Rot. Bonds4

About N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 55941004) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID55941004
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)cn1
InChIInChI=1S/C21H25N5O3S/c1-24-12-16(11-22-24)19(27)23-17-7-9-25(10-8-17)21(29)18-13-30-14-26(18)20(28)15-5-3-2-4-6-15/h2-6,11-12,17-18H,7-10,13-14H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyIPHHHFISHSGZIT-SFHVURJKSA-N
XLogP1.36
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 114309173
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N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 55941004) is N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)cn1.
What is the InChIKey of N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is IPHHHFISHSGZIT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-24-12-16(11-22-24)19(27)23-17-7-9-25(10-8-17)21(29)18-13-30-14-26(18)20(28)15-5-3-2-4-6-15/h2-6,11-12,17-18H,7-10,13-14H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55941004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).