2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C17H20FN3O4 — CID 119182618

IUPAC2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C17H20FN3O4/c18-10-1-3-11(4-2-10)19-17(25)20-12-5-7-21(8-6-12)15(22)13-9-14(13)16(23)24/h1-4,12-14H,5-9H2,(H,23,24)(H2,19,20,25)
InChIKeyIWENERUKRRFUNK-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 119182618) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID119182618
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C17H20FN3O4/c18-10-1-3-11(4-2-10)19-17(25)20-12-5-7-21(8-6-12)15(22)13-9-14(13)16(23)24/h1-4,12-14H,5-9H2,(H,23,24)(H2,19,20,25)
InChIKeyIWENERUKRRFUNK-UHFFFAOYSA-N
XLogP1.66
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734449
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 120788435
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 69227173
1-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119734475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 119182618) is 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is IWENERUKRRFUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-10-1-3-11(4-2-10)19-17(25)20-12-5-7-21(8-6-12)15(22)13-9-14(13)16(23)24/h1-4,12-14H,5-9H2,(H,23,24)(H2,19,20,25).
What are the key properties of 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 349.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).