(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C16H23N5OS — CID 124596974

IUPAC(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1nccs1
InChIInChI=1S/C16H23N5OS/c1-3-14(15-17-6-8-23-15)19-16(22)20-7-4-5-13(11-20)21-10-12(2)9-18-21/h6,8-10,13-14H,3-5,7,11H2,1-2H3,(H,19,22)/t13-,14-/m0/s1
InChIKeyNLSPWVRGSSDVGP-KBPBESRZSA-N
MW333.46 g/mol
LogP3.15
Rot. Bonds4

About (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 124596974) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID124596974
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1nccs1
InChIInChI=1S/C16H23N5OS/c1-3-14(15-17-6-8-23-15)19-16(22)20-7-4-5-13(11-20)21-10-12(2)9-18-21/h6,8-10,13-14H,3-5,7,11H2,1-2H3,(H,19,22)/t13-,14-/m0/s1
InChIKeyNLSPWVRGSSDVGP-KBPBESRZSA-N
XLogP3.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596967
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
2-[1-[2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897078
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 75437484
1-(2-cyclohexylpyrazol-3-yl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 56794173
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 124596974) is (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CC[C@H](NC(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1nccs1.
What is the InChIKey of (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is NLSPWVRGSSDVGP-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-14(15-17-6-8-23-15)19-16(22)20-7-4-5-13(11-20)21-10-12(2)9-18-21/h6,8-10,13-14H,3-5,7,11H2,1-2H3,(H,19,22)/t13-,14-/m0/s1.
What are the key properties of (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 124596974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).