1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea

C17H23FN4O2 — CID 119310459

IUPAC1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C17H23FN4O2/c18-13-1-3-14(4-2-13)20-17(24)21-15-7-10-22(11-15)16(23)12-5-8-19-9-6-12/h1-4,12,15,19H,5-11H2,(H2,20,21,24)
InChIKeyOUQKMBTXJXAYNJ-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.55
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea

1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea (PubChem CID 119310459) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
PubChem CID119310459
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C2CCNCC2)C1
InChIInChI=1S/C17H23FN4O2/c18-13-1-3-14(4-2-13)20-17(24)21-15-7-10-22(11-15)16(23)12-5-8-19-9-6-12/h1-4,12,15,19H,5-11H2,(H2,20,21,24)
InChIKeyOUQKMBTXJXAYNJ-UHFFFAOYSA-N
XLogP1.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
1-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 119310451
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95299167
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-fluorophenyl)-3-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]urea;hydrochloride
CID 119734456
2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182618
(3S)-3-[(4-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95155477
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea (CID 119310459) is 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea is O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C2CCNCC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea?
The InChIKey is OUQKMBTXJXAYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-13-1-3-14(4-2-13)20-17(24)21-15-7-10-22(11-15)16(23)12-5-8-19-9-6-12/h1-4,12,15,19H,5-11H2,(H2,20,21,24).
What are the key properties of 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea?
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea has a molecular weight of 334.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 119310459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).