(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide

C20H33N5O2 — CID 129329559

IUPAC(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1c1cnn(C)c1
InChIInChI=1S/C20H33N5O2/c1-5-24-9-6-7-16(19(24)18-11-21-23(4)13-18)12-22(3)20(27)17-8-10-25(14-17)15(2)26/h11,13,16-17,19H,5-10,12,14H2,1-4H3/t16-,17+,19?/m0/s1
InChIKeyFUAZIQXACMYYON-PZEDNMLSSA-N
MW375.52 g/mol
LogP1.52
Rot. Bonds5

About (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide

(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 129329559) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID129329559
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H](CN(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1c1cnn(C)c1
InChIInChI=1S/C20H33N5O2/c1-5-24-9-6-7-16(19(24)18-11-21-23(4)13-18)12-22(3)20(27)17-8-10-25(14-17)15(2)26/h11,13,16-17,19H,5-10,12,14H2,1-4H3/t16-,17+,19?/m0/s1
InChIKeyFUAZIQXACMYYON-PZEDNMLSSA-N
XLogP1.52
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
CID 128993545
2-acetamido-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
CID 128992181
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
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
(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-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 128991489
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
1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(2-imidazol-1-ylethyl)-1-methylurea
CID 128969467
4-[[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]methyl]benzamide
CID 129005481
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide (CID 129329559) is (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide is CCN1CCC[C@@H](CN(C)C(=O)[C@@H]2CCN(C(C)=O)C2)C1c1cnn(C)c1.
What is the InChIKey of (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is FUAZIQXACMYYON-PZEDNMLSSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-24-9-6-7-16(19(24)18-11-21-23(4)13-18)12-22(3)20(27)17-8-10-25(14-17)15(2)26/h11,13,16-17,19H,5-10,12,14H2,1-4H3/t16-,17+,19?/m0/s1.
What are the key properties of (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide?
(3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 129329559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).