N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride

C19H27ClFN3O2 — CID 119282876

IUPACN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C19H26FN3O2.ClH/c20-16-7-6-15(22-18(24)14-8-10-21-11-9-14)12-17(16)23-19(25)13-4-2-1-3-5-13;/h6-7,12-14,21H,1-5,8-11H2,(H,22,24)(H,23,25);1H
InChIKeySPGWPKLOUJGBFR-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.70
Rot. Bonds4

About N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119282876) has the molecular formula C19H27ClFN3O2 and a molecular weight of 383.90 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119282876
Molecular FormulaC19H27ClFN3O2
Molecular Weight383.90 g/mol
Exact Mass383.18
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C19H26FN3O2.ClH/c20-16-7-6-15(22-18(24)14-8-10-21-11-9-14)12-17(16)23-19(25)13-4-2-1-3-5-13;/h6-7,12-14,21H,1-5,8-11H2,(H,22,24)(H,23,25);1H
InChIKeySPGWPKLOUJGBFR-UHFFFAOYSA-N
XLogP3.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119711633
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
(2S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1,4-dioxane-2-carboxamide
CID 94130346
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride (CID 119282876) is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCNCC1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is SPGWPKLOUJGBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2.ClH/c20-16-7-6-15(22-18(24)14-8-10-21-11-9-14)12-17(16)23-19(25)13-4-2-1-3-5-13;/h6-7,12-14,21H,1-5,8-11H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 383.90 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119282876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).