N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide

C16H26FN5O2 — CID 128995278

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1CCOCC1
InChIInChI=1S/C16H26FN5O2/c1-20-3-2-18-15(20)11-22-10-13(17)8-14(22)9-19-16(23)12-21-4-6-24-7-5-21/h2-3,13-14H,4-12H2,1H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyDNQNBYKTJXMPOY-KBPBESRZSA-N
MW339.42 g/mol
LogP-0.22
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide

N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 128995278) has the molecular formula C16H26FN5O2 and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID128995278
Molecular FormulaC16H26FN5O2
Molecular Weight339.42 g/mol
Exact Mass339.21
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1CCOCC1
InChIInChI=1S/C16H26FN5O2/c1-20-3-2-18-15(20)11-22-10-13(17)8-14(22)9-19-16(23)12-21-4-6-24-7-5-21/h2-3,13-14H,4-12H2,1H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyDNQNBYKTJXMPOY-KBPBESRZSA-N
XLogP-0.22
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide (CID 128995278) is N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide is Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1CCOCC1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is DNQNBYKTJXMPOY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26FN5O2/c1-20-3-2-18-15(20)11-22-10-13(17)8-14(22)9-19-16(23)12-21-4-6-24-7-5-21/h2-3,13-14H,4-12H2,1H3,(H,19,23)/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 128995278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).