(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide

C18H31N5O2 — CID 110202905

IUPAC(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)[C@@H]1C[C@@H](O)CN1C1CCNCC1
InChIInChI=1S/C18H31N5O2/c1-3-21(11-14-10-20-22(4-2)12-14)18(25)17-9-16(24)13-23(17)15-5-7-19-8-6-15/h10,12,15-17,19,24H,3-9,11,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyJWHBXPSJUOTJCR-SJORKVTESA-N
MW349.48 g/mol
LogP0.44
Rot. Bonds6

About (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide

(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 110202905) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID110202905
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)[C@@H]1C[C@@H](O)CN1C1CCNCC1
InChIInChI=1S/C18H31N5O2/c1-3-21(11-14-10-20-22(4-2)12-14)18(25)17-9-16(24)13-23(17)15-5-7-19-8-6-15/h10,12,15-17,19,24H,3-9,11,13H2,1-2H3/t16-,17+/m1/s1
InChIKeyJWHBXPSJUOTJCR-SJORKVTESA-N
XLogP0.44
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 110202905) is (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide is CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1C[C@@H](O)CN1C1CCNCC1.
What is the InChIKey of (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is JWHBXPSJUOTJCR-SJORKVTESA-N. The full InChI is InChI=1S/C18H31N5O2/c1-3-21(11-14-10-20-22(4-2)12-14)18(25)17-9-16(24)13-23(17)15-5-7-19-8-6-15/h10,12,15-17,19,24H,3-9,11,13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide?
(2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110202905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).