1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride

C27H35ClFN3O3 — CID 171688391

IUPAC1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)C1(CC2CCNCC2)CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1.Cl
InChIInChI=1S/C27H34FN3O3.ClH/c1-29-26(33)27(18-20-9-13-30-14-10-20)11-15-31(16-12-27)25(32)22-3-2-4-24(17-22)34-19-21-5-7-23(28)8-6-21;/h2-8,17,20,30H,9-16,18-19H2,1H3,(H,29,33);1H
InChIKeyZMTYEQPMWZNOAF-UHFFFAOYSA-N
MW504.05 g/mol
LogP4.18
Rot. Bonds7

About 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride

1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 171688391) has the molecular formula C27H35ClFN3O3 and a molecular weight of 504.05 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID171688391
Molecular FormulaC27H35ClFN3O3
Molecular Weight504.05 g/mol
Exact Mass503.24
IUPAC Name1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCNC(=O)C1(CC2CCNCC2)CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1.Cl
InChIInChI=1S/C27H34FN3O3.ClH/c1-29-26(33)27(18-20-9-13-30-14-10-20)11-15-31(16-12-27)25(32)22-3-2-4-24(17-22)34-19-21-5-7-23(28)8-6-21;/h2-8,17,20,30H,9-16,18-19H2,1H3,(H,29,33);1H
InChIKeyZMTYEQPMWZNOAF-UHFFFAOYSA-N
XLogP4.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.05
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
2-[4-[3-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56585853
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572417
[3-[(4-chlorophenyl)methoxy]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647252
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137
[3-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927030
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 171688391) is 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride is CNC(=O)C1(CC2CCNCC2)CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1.Cl.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZMTYEQPMWZNOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O3.ClH/c1-29-26(33)27(18-20-9-13-30-14-10-20)11-15-31(16-12-27)25(32)22-3-2-4-24(17-22)34-19-21-5-7-23(28)8-6-21;/h2-8,17,20,30H,9-16,18-19H2,1H3,(H,29,33);1H.
What are the key properties of 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 504.05 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methoxy]benzoyl]-N-methyl-4-(piperidin-4-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 171688391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).