(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide

C14H18FN5O2S — CID 9085378

IUPAC(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FN5O2S/c15-10-3-5-11(6-4-10)17-14(23)19-18-12(21)9-2-1-7-20(8-9)13(16)22/h3-6,9H,1-2,7-8H2,(H2,16,22)(H,18,21)(H2,17,19,23)/t9-/m1/s1
InChIKeyQKFSQVSVXYABML-SECBINFHSA-N
MW339.40 g/mol
LogP0.93
Rot. Bonds2

About (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide

(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide (PubChem CID 9085378) has the molecular formula C14H18FN5O2S and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
PubChem CID9085378
Molecular FormulaC14H18FN5O2S
Molecular Weight339.40 g/mol
Exact Mass339.12
IUPAC Name(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FN5O2S/c15-10-3-5-11(6-4-10)17-14(23)19-18-12(21)9-2-1-7-20(8-9)13(16)22/h3-6,9H,1-2,7-8H2,(H2,16,22)(H,18,21)(H2,17,19,23)/t9-/m1/s1
InChIKeyQKFSQVSVXYABML-SECBINFHSA-N
XLogP0.93
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentanecarbonylamino)-3-(4-fluorophenyl)thiourea
CID 9469539
(3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 8969879
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
1-[[(3R)-1-acetylpiperidine-3-carbonyl]amino]-3-(4-chlorophenyl)thiourea
CID 9317527
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
1-(bicyclo[4.1.0]heptane-7-carbonylamino)-3-(4-fluorophenyl)thiourea
CID 3839475
(3R)-3-N-(5-fluoro-2-piperidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 95286790
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
1-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]-3-(4-butylphenyl)thiourea
CID 9272620
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide (CID 9085378) is (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide is NC(=O)N1CCC[C@@H](C(=O)NNC(=S)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide?
The InChIKey is QKFSQVSVXYABML-SECBINFHSA-N. The full InChI is InChI=1S/C14H18FN5O2S/c15-10-3-5-11(6-4-10)17-14(23)19-18-12(21)9-2-1-7-20(8-9)13(16)22/h3-6,9H,1-2,7-8H2,(H2,16,22)(H,18,21)(H2,17,19,23)/t9-/m1/s1.
What are the key properties of (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide?
(3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 0.93, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 9085378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).