(3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C18H26FN3O3 — CID 72869799

IUPAC(3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C18H26FN3O3/c19-17-3-1-14(2-4-17)9-20-18(24)22-11-15(16(12-22)13-23)10-21-5-7-25-8-6-21/h1-4,15-16,23H,5-13H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyDSGIBDBYYQRVNE-HZPDHXFCSA-N
MW351.42 g/mol
LogP0.91
Rot. Bonds5

About (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

(3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 72869799) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID72869799
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name(3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C18H26FN3O3/c19-17-3-1-14(2-4-17)9-20-18(24)22-11-15(16(12-22)13-23)10-21-5-7-25-8-6-21/h1-4,15-16,23H,5-13H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyDSGIBDBYYQRVNE-HZPDHXFCSA-N
XLogP0.91
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 72869799) is (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1.
What is the InChIKey of (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is DSGIBDBYYQRVNE-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26FN3O3/c19-17-3-1-14(2-4-17)9-20-18(24)22-11-15(16(12-22)13-23)10-21-5-7-25-8-6-21/h1-4,15-16,23H,5-13H2,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
(3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72869799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).