(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C20H29FN4O2 — CID 72841621

IUPAC(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H29FN4O2/c1-3-22-20(27)19-12-15(23-14(2)26)13-25(19)16-8-10-24(11-9-16)18-7-5-4-6-17(18)21/h4-7,15-16,19H,3,8-13H2,1-2H3,(H,22,27)(H,23,26)/t15-,19-/m0/s1
InChIKeyPOLJQYIQVFBRCC-KXBFYZLASA-N
MW376.48 g/mol
LogP1.51
Rot. Bonds5

About (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 72841621) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID72841621
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H29FN4O2/c1-3-22-20(27)19-12-15(23-14(2)26)13-25(19)16-8-10-24(11-9-16)18-7-5-4-6-17(18)21/h4-7,15-16,19H,3,8-13H2,1-2H3,(H,22,27)(H,23,26)/t15-,19-/m0/s1
InChIKeyPOLJQYIQVFBRCC-KXBFYZLASA-N
XLogP1.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-ethyl-4-[(2-fluorophenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45215738
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 118757474
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 74238460
(2S,4S)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72886263
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 74231149
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 72854385
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 72923158
(2S,4S)-N-ethyl-1-[(2-fluorophenyl)methyl]-4-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxamide
CID 72838677
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 72841621) is (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(C)=O)CN1C1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is POLJQYIQVFBRCC-KXBFYZLASA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-3-22-20(27)19-12-15(23-14(2)26)13-25(19)16-8-10-24(11-9-16)18-7-5-4-6-17(18)21/h4-7,15-16,19H,3,8-13H2,1-2H3,(H,22,27)(H,23,26)/t15-,19-/m0/s1.
What are the key properties of (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-acetamido-N-ethyl-1-[1-(2-fluorophenyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72841621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).