N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide

C17H25FN4O2 — CID 119902206

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1CC(O)CN1
InChIInChI=1S/C17H25FN4O2/c18-13-1-3-14(4-2-13)22-9-7-21(8-10-22)6-5-19-17(24)16-11-15(23)12-20-16/h1-4,15-16,20,23H,5-12H2,(H,19,24)
InChIKeyLQLDUBSBZBMFTP-UHFFFAOYSA-N
MW336.41 g/mol
LogP-0.21
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119902206) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119902206
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1CC(O)CN1
InChIInChI=1S/C17H25FN4O2/c18-13-1-3-14(4-2-13)22-9-7-21(8-10-22)6-5-19-17(24)16-11-15(23)12-20-16/h1-4,15-16,20,23H,5-12H2,(H,19,24)
InChIKeyLQLDUBSBZBMFTP-UHFFFAOYSA-N
XLogP-0.21
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 119902086
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-propylguanidine
CID 111061999

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119902206) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1CC(O)CN1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LQLDUBSBZBMFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c18-13-1-3-14(4-2-13)22-9-7-21(8-10-22)6-5-19-17(24)16-11-15(23)12-20-16/h1-4,15-16,20,23H,5-12H2,(H,19,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 336.41 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119902206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).