1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid

C21H25FN4O3 — CID 171540438

IUPAC1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid
SMILESO=C(O)C1C(Nc2cc(N3CCOCC3)ccn2)CCCN1c1cccc(F)c1
InChIInChI=1S/C21H25FN4O3/c22-15-3-1-4-17(13-15)26-8-2-5-18(20(26)21(27)28)24-19-14-16(6-7-23-19)25-9-11-29-12-10-25/h1,3-4,6-7,13-14,18,20H,2,5,8-12H2,(H,23,24)(H,27,28)
InChIKeyIYTTYDUAVJCMTQ-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid

1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid (PubChem CID 171540438) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid
PubChem CID171540438
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid
SMILESO=C(O)C1C(Nc2cc(N3CCOCC3)ccn2)CCCN1c1cccc(F)c1
InChIInChI=1S/C21H25FN4O3/c22-15-3-1-4-17(13-15)26-8-2-5-18(20(26)21(27)28)24-19-14-16(6-7-23-19)25-9-11-29-12-10-25/h1,3-4,6-7,13-14,18,20H,2,5,8-12H2,(H,23,24)(H,27,28)
InChIKeyIYTTYDUAVJCMTQ-UHFFFAOYSA-N
XLogP2.59
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid with MolForge

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Related Compounds

4-[2-[(3aR,7aR)-4-(3-fluorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-4-pyridinyl]morpholine
CID 171539670
4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540304
N-[(3R)-1-(3-fluoroisoquinolin-1-yl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540297
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
CID 171540040
4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540303
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
(4aS,8aS)-1-(3-fluorophenyl)-5-(4-piperidin-1-yl-2-pyridinyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 171539664
1-(3-fluorophenyl)-5-[[4-[3-[1-[2-[[1-(3-fluorophenyl)piperidin-3-yl]amino]-4-pyridinyl]pyrrolidin-3-yl]pyrrolidin-1-yl]-2-pyridinyl]amino]piperidine-3-carboxamide
CID 171540106
4-[2-[1,1,1-trifluoro-2-[1-(3-fluorophenyl)piperidin-3-yl]propan-2-yl]-4-pyridinyl]morpholine
CID 171540458
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 167900008
4-morpholin-4-yl-N-[(3R)-1-(1,7-naphthyridin-8-yl)piperidin-3-yl]pyridin-2-amine
CID 171540161

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid (CID 171540438) is 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid is O=C(O)C1C(Nc2cc(N3CCOCC3)ccn2)CCCN1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid?
The InChIKey is IYTTYDUAVJCMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-15-3-1-4-17(13-15)26-8-2-5-18(20(26)21(27)28)24-19-14-16(6-7-23-19)25-9-11-29-12-10-25/h1,3-4,6-7,13-14,18,20H,2,5,8-12H2,(H,23,24)(H,27,28).
What are the key properties of 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid?
1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid has a molecular weight of 400.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(4-morpholin-4-yl-2-pyridinyl)amino]piperidine-2-carboxylic acid is sourced from PubChem (CID 171540438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).