N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C19H29N5OS — CID 128991489

IUPACN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)Cc2csc(C)n2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H29N5OS/c1-5-24-8-6-7-15(19(24)16-10-20-23(4)12-16)11-22(3)18(25)9-17-13-26-14(2)21-17/h10,12-13,15,19H,5-9,11H2,1-4H3/t15-,19+/m0/s1
InChIKeyPLVFZOQAOOZTIQ-HNAYVOBHSA-N
MW375.54 g/mol
LogP2.66
Rot. Bonds6

About N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 128991489) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID128991489
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)Cc2csc(C)n2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H29N5OS/c1-5-24-8-6-7-15(19(24)16-10-20-23(4)12-16)11-22(3)18(25)9-17-13-26-14(2)21-17/h10,12-13,15,19H,5-9,11H2,1-4H3/t15-,19+/m0/s1
InChIKeyPLVFZOQAOOZTIQ-HNAYVOBHSA-N
XLogP2.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylpropanamide
CID 129328845
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(oxan-2-yl)propanamide
CID 129000677
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
CID 129006504
(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 129329559
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
CID 128993545
2-chloro-N-[[1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-fluoro-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 166427750
1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea
CID 128965192
(2R)-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylpropanamide
CID 129331889
4-[[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]methyl]benzamide
CID 129005481
N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine
CID 129007334
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 128999095
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 128991489) is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCN1CCC[C@@H](CN(C)C(=O)Cc2csc(C)n2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PLVFZOQAOOZTIQ-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-5-24-8-6-7-15(19(24)16-10-20-23(4)12-16)11-22(3)18(25)9-17-13-26-14(2)21-17/h10,12-13,15,19H,5-9,11H2,1-4H3/t15-,19+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 375.54 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 128991489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).