2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide

C19H29FN4O — CID 124846478

IUPAC2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide
SMILESCN(C)[C@@H]1CCN(CC(=O)NC2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H29FN4O/c1-22(2)18-9-10-23(13-18)14-19(25)21-16-7-11-24(12-8-16)17-5-3-15(20)4-6-17/h3-6,16,18H,7-14H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyIVPQNTNWXWFWGV-GOSISDBHSA-N
MW348.47 g/mol
LogP1.55
Rot. Bonds5

About 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide (PubChem CID 124846478) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide
PubChem CID124846478
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide
SMILESCN(C)[C@@H]1CCN(CC(=O)NC2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H29FN4O/c1-22(2)18-9-10-23(13-18)14-19(25)21-16-7-11-24(12-8-16)17-5-3-15(20)4-6-17/h3-6,16,18H,7-14H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyIVPQNTNWXWFWGV-GOSISDBHSA-N
XLogP1.55
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide (CID 124846478) is 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide is CN(C)[C@@H]1CCN(CC(=O)NC2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide?
The InChIKey is IVPQNTNWXWFWGV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-22(2)18-9-10-23(13-18)14-19(25)21-16-7-11-24(12-8-16)17-5-3-15(20)4-6-17/h3-6,16,18H,7-14H2,1-2H3,(H,21,25)/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide?
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 124846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).